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@Article{1805-Young,
	Author = "Thomas Young",
	Title = "{An essay on the cohesion of fluids}",
	Journal = "Phil. Trans. R. Soc. Lond.",
	Volume = "95",
	Pages = "65–87",
	collection = "interfaces",
	doi = "10.1098/rstl.1805.0005",
	keywords = "liquid interfaces",
	year = 1805
}

@Article{1856-Goodyear,
	Author = "Charles Goodyear",
	Title = "{Berfahren zur fabrication von begenstanden welche mehr ober weniger hart, bieglam ober elastisch sind, aus rautschut und Cutta-percha in Berbindung mit anderen stoffen}",
	Journal = "Dinglers Polytechnisches Journal",
	Volume = "139",
	Pages = "367–390",
	Note = "Classic paper on tire reinforcement.",
	collection = "nanocomposite polymers",
	keywords = "mechanical properties; polymer nanocomposites",
	rating = "3",
	year = 1856
}

@Article{1927-Born-Oppenheimer,
	Author = "Max Born and Robert Oppenheimer",
	Title = "{Zur Quantentheorie der Molekeln}",
	Journal = "Annalen der Physik",
	Volume = "84",
	Pages = "457–484",
	collection = "quantum chemistry",
	doi = "10.1002/andp.19273892002",
	keywords = "Born-Oppenheimer approximation",
	year = 1927
}

@Article{1927-Born-Oppenheimer-1,
	Author = "Max Born and Robert Oppenheimer",
	Title = "{On the Quantum Theory of Molecules (translation by H. Hettema)}",
	Journal = "Annalen der Physik",
	Volume = "84",
	Pages = "457–484",
	collection = "quantum chemistry",
	keywords = "Born-Oppenheimer approximation",
	year = 1927
}

@Article{1927-Born-Oppenheimer-2,
	Author = "Max Born and Robert Oppenheimer",
	Title = "{On the Quantum Theory of Molecules (translation by S. M. Blinder)}",
	Journal = "Annalen der Physik",
	Volume = "84",
	Pages = "457–484",
	collection = "quantum chemistry",
	keywords = "Born-Oppenheimer approximation",
	year = 1927
}

@Article{1931-Taylor-Harvey,
	Author = "G. Wellford Taylor and E. Newton Harvey",
	Title = "{The theory of mitogenetic radiation}",
	Journal = "Biol. Bull.",
	Volume = "61",
	Pages = "280–293",
	collection = "cells",
	doi = "10.2307/1536948",
	year = 1931
}

@Article{1934-Moller-Plesset,
	Author = "Christian Møller and Milton S. Plesset",
	Title = "{Note on an approximation treatment for many-electron systems}",
	Journal = "Phys. Rev.",
	Volume = "46",
	Pages = "618–622",
	collection = "quantum chemistry",
	doi = "10.1103/PhysRev.46.618",
	keywords = "electronic structure",
	methods = "MP2",
	year = 1934
}

@Article{1937-Mulliken,
	Author = "Robert S. Mulliken",
	Title = "{Science and the scientific attitude}",
	Journal = "Science",
	Volume = "86",
	Pages = "65-68",
	Note = "Page 66: The trouble with the world today, most scientists believe, is not that there is too much science, but rather that the scientific attitude--the essence of science--is far too little understood and too inadequately applied to human problems.",
	collection = "philosophy",
	doi = "10.1126/science.86.2221.65",
	keywords = "scientific method",
	year = 1837
}

@Article{1942-Flory,
	Author = "Paul J. Flory",
	Title = "{Thermodynamics of high polymer solutions}",
	Journal = "J. Chem. Phys.",
	Volume = "10",
	Pages = "51–61",
	collection = "polymers",
	doi = "10.1063/1.1723621",
	keywords = "polymers",
	year = 1942
}

@Article{1942-Flory-1,
	Author = "Paul J. Flory",
	Title = "{Constitution of three-dimensional polymers and the theory of gelation}",
	Journal = "J. Phys. Chem.",
	Volume = "46",
	Pages = "132–140",
	collection = "polymers",
	doi = "10.1021/j150415a016",
	keywords = "polymers",
	year = 1942
}

@Article{1942-Huggins,
	Author = "Maurice L. Huggins",
	Title = "{Some properties of solutions of long-chain compounds}",
	Journal = "J. Phys. Chem.",
	Volume = "46",
	Pages = "151–158",
	collection = "polymers",
	doi = "10.1021/j150415a018",
	year = 1942
}

@Article{1944-Avery-MM,
	Author = "Oswald T. Avery and Colin M. {MacLeod} and Maclyn {McCarty}",
	Title = "{Studies on the chemical nature of the substance inducing transformation of pneumococcal types: induction of transformation by a desoxyribonucleic acid fraction isolated from pneumococcus type III}",
	Journal = "J. Exp. Med.",
	Volume = "79",
	Number = "2",
	Pages = "137–158",
	collection = "nucleic acids",
	doi = "10.1084/jem.79.2.137",
	keywords = "nucleic acids",
	year = 1944
}

@Article{1948-Foster,
	Author = "Ruth A. C. Foster",
	Title = "{An analysis of the action of proflavine on bacteriophage growth}",
	Journal = "J. Bacteriol.",
	Volume = "56",
	Number = "6",
	Pages = "795–809",
	cited = "115 (2005-05-23)",
	collection = "viruses",
	year = 1948
}

@Article{1948-Pauling,
	Author = "Linus Pauling",
	Title = "{Nature of forces between large molecules of biological interest}",
	Journal = "Nature",
	Volume = "161",
	Pages = "707–709",
	collection = "molecular interactions",
	doi = "10.1038/161707a0",
	year = 1948
}

@Article{1950-Shuttleworth,
	Author = "R. Shuttleworth",
	Title = "{The surface tension of solids}",
	Journal = "Proc. Phys. Soc. A",
	Volume = "63",
	Pages = "444–457",
	collection = "interfaces",
	doi = "10.1088/0370-1298",
	keywords = "surface tension",
	year = 1950
}

@Article{1951-Roothaan,
	Author = "Clemens C. J. Roothaan",
	Title = "{New developments in molecular orbital theory}",
	Journal = "Rev. Mod. Phys.",
	Volume = "23",
	Number = "2",
	Pages = "69–89",
	collection = "quantum chemistry",
	doi = "10.1103/RevModPhys.23.69",
	year = 1951
}

@Article{1952-Hershey-Chase,
	Author = "Andrew D. Hershey and Martha Chase",
	Title = "{Independent functions of viral protein and nucleic acid of bacteriophage}",
	Journal = "J. Gen. Physiol.",
	Volume = "36",
	Number = "1",
	Pages = "39–56",
	collection = "nucleic acids",
	doi = "10.1085/jgp.36.1.39",
	keywords = "nucleic acids",
	year = 1952
}

@Article{1952-Kirkwood-Shumaker,
	Author = "John G. Kirkwood and John B. Shumaker",
	Title = "{The influence of dipole moment fluctuations on the dielectric increment of proteins in solution}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "38",
	Pages = "855–862",
	collection = "molecular electrostatics",
	year = 1952
}

@Article{1953-Franklin-Gosling,
	Author = "Rosalind E. Franklin and Raymond G. Gosling",
	Title = "{Evidence for 2-chain helix in crystalline structure of sodium deoxyribonucleate}",
	Journal = "Nature",
	Volume = "172",
	Pages = "156–157",
	collection = "nucleic acids",
	doi = "10.1038/172156a0",
	keywords = "nucleic acids",
	year = 1953
}

@Article{1953-Franklin-Gosling-1,
	Author = "Rosalind E. Franklin and Raymond G. Gosling",
	Title = "{Molecular configuration in sodium thymonucleate}",
	Journal = "Nature",
	Volume = "171",
	Pages = "740–741",
	collection = "nucleic acids",
	doi = "10.1038/171740a0",
	keywords = "nucleic acids",
	year = 1953
}

@Article{1953-Rouse,
	Author = "Jr. {Prince E. Rouse}",
	Title = "{A theory of the linear viscoelastic properties of dilute solutions of coiling polymers}",
	Journal = "J. Chem. Phys.",
	Volume = "21",
	Number = "7",
	Pages = "1272–1280",
	collection = "polymers",
	doi = "10.1063/1.1699180",
	year = 1953
}

@Article{1953-Watson-Crick,
	Author = "James D. Watson and Francis H. C. Crick",
	Title = "{Molecular structure of nucleic acids - a structure for deoxyribose nucleic acid}",
	Journal = "Nature",
	Volume = "171",
	Number = "4356",
	Pages = "737 – 738",
	collection = "nucleic acids",
	doi = "10.1038/171737a0",
	keywords = "nucleic acids",
	year = 1953
}

@Article{1953-Watson-Crick-1,
	Author = "James D. Watson and Francis H. C. Crick",
	Title = "{Genetical implications of the structure of deoxyribonucleic acid}",
	Journal = "Nature",
	Volume = "171",
	Pages = "964–968",
	collection = "nucleic acids",
	doi = "10.1038/171964b0",
	keywords = "nucleic acids",
	year = 1953
}

@Article{1953-Wilkins-SW,
	Author = "Maurice H. F. Wilkins and Alexander R. Stokes and Herbert R. Wilson",
	Title = "{Molecular structure of deoxypentose nucleic acids}",
	Journal = "Nature",
	Volume = "172",
	Pages = "738–740",
	collection = "nucleic acids",
	doi = "10.1038/171738a0",
	year = 1953
}

@Article{1954-Zwanzig,
	Author = "Robert W. Zwanzig",
	Title = "{High-temperature equation of state by a perturbation method. I. Nonpolar gases}",
	Journal = "J. Chem. Phys.",
	Volume = "22",
	Number = "8",
	Pages = "1420–1426",
	collection = "statistical mechanics",
	doi = "10.1063/1.1740409",
	year = 1954
}

@Article{1955-Mulliken,
	Author = "R. S. Mulliken",
	Title = "{Electronic population analysis on LCAO-MO molecular wave functions. I}",
	Journal = "J. Chem. Phys.",
	Volume = "23",
	Number = "10",
	Pages = "1833–1840",
	collection = "quantum chemistry",
	keywords = "electronic structure",
	year = 1955
}

@Article{1955-Zwanzig,
	Author = "Robert W. Zwanzig",
	Title = "{High-temperature equation of state by a perturbation method. II. Polar gases}",
	Journal = "J. Chem. Phys.",
	Volume = "23",
	Number = "10",
	Pages = "1915–1922",
	collection = "statistical mechanics",
	doi = "10.1063/1.1740604",
	year = 1955
}

@Article{1956-Zimm,
	Author = "Bruno H. Zimm",
	Title = "{Dynamics of polymer molecules in dilute solution: viscoelasticity, flow birefringence and dielectric loss}",
	Journal = "J. Chem. Phys.",
	Volume = "24",
	Number = "2",
	Pages = "269–278",
	collection = "polymers",
	doi = "10.1063/1.1742462",
	year = 1956
}

@Article{1958-Jansen,
	Author = "Laurens Jansen",
	Title = "{Tensor formalism for Coulomb interactions and asymptotic properties of multipole expansions}",
	Journal = "Phys. Rev.",
	Volume = "110",
	Number = "3",
	Pages = "661–669",
	collection = "molecular electrostatics",
	doi = "10.1103/PhysRev.110.661",
	keywords = "multipole expansion",
	year = 1958
}

@Article{1958-Meselson-Stahl,
	Author = "Matthew Meselson and Franklin W. Stahl",
	Title = "{The replication of {DNA} in {E}scherichia coli}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "44",
	Number = "7",
	Pages = "671–682",
	collection = "nucleic acids",
	doi = "10.1073/pnas.44.7.671",
	year = 1958
}

@Article{1959-Buckingham,
	Author = "A. David Buckingham",
	Title = "{Direct Method of Measuring Molecular Quadrupole Moments}",
	Journal = "J. Chem. Phys.",
	Volume = "30",
	Number = "6",
	Pages = "1580–1585",
	collection = "molecular electrostatics",
	doi = "10.1063/1.1730242",
	keywords = "multipole expansion",
	year = 1959
}

@Article{1959-Hubbard,
	Author = "J. Hubbard",
	Title = "{Calculation of partition functions}",
	Journal = "Phys. Rev. Lett.",
	Volume = "3",
	Number = "2",
	Pages = "77–78",
	collection = "statistical mechanics",
	doi = "10.1103/PhysRevLett.3.77",
	year = 1959
}

@Article{1960-Glarum,
	Author = "Sivert H. Glarum",
	Title = "{Dielectric relaxation of isoamyl bromide}",
	Journal = "J. Chem. Phys.",
	Volume = "33",
	Number = "3",
	Pages = "639–645",
	cited = "354 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1063/1.1731229",
	year = 1960
}

@Article{1960-Wigner,
	Author = "Eugene P. Wigner",
	Title = "{The unreasonable effectiveness of mathematics in the natural sciences}",
	Journal = "Comm. Pure Appl. Math.",
	Volume = "13",
	Pages = "1–14",
	Note = "(...) fundamentally, we do not know why our theories work so well. Hence their accuracy may not prove their truth and consistency.",
	collection = "philosophy",
	doi = "10.1002/cpa.3160130102",
	rating = "3",
	year = 1960
}

@Article{1960-Zimm,
	Author = "Bruno H. Zimm",
	Title = "{Theory of “melting” of the helical form in double chains of the {DNA} type}",
	Journal = "J. Chem. Phys.",
	Volume = "33",
	Number = "5",
	Pages = "1349–1356",
	collection = "nucleic acids",
	doi = "10.1063/1.1731411",
	keywords = "nucleic acid stability",
	year = 1960
}

@Article{1961-Lerman,
	Author = "Leonard S. Lerman",
	Title = "{Structural considerations in interaction of {DNA} and acridines}",
	Journal = "J. Mol. Biol.",
	Volume = "3",
	Number = "1",
	Pages = "18–30",
	Note = "First direct experimental evidence of intercalation – viscometric, sedimentation and X-ray.",
	cited = "1401 (2005-04-13)",
	collection = "nucleic acid intercalation",
	doi = "10.1016/S0022-2836(61)80004-1",
	year = 1961
}

@Article{1963-Tso-MO,
	Author = "Paul O. P. Ts'o and Ingelore S. Melvin and Alfred C. Olson",
	Title = "{Interaction and Association of Bases and Nucleosides in Aqueous Solutions}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "85",
	Number = "9",
	Pages = "1289–1296",
	collection = "stacking",
	doi = "10.1021/ja00892a016",
	year = 1963
}

@Article{1964-Chan-STH,
	Author = "Sunney I. Chan and M. P. Schweizer and Paul O. P. Ts'o and G. K. Helmkamp",
	Title = "{Interaction + association of bases + nucleosides in aqueous solutions .3. nuclear magnetic resonance study of self-association of purine + 6-methylpurine}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "86",
	Number = "19",
	Pages = "4182–\&",
	cited = "263 (2005-05-23)",
	collection = "stacking",
	doi = "10.1021/ja01073a055",
	year = 1964
}

@Article{1964-Hohenberg-Kohn,
	Author = "P. Hohenberg and W. Kohn",
	Title = "{Inhomogeneous electron gas}",
	Journal = "Phys. Rev. B",
	Volume = "136",
	Number = "3B",
	Pages = "B864–B871",
	collection = "quantum chemistry",
	doi = "10.1103/PhysRev.136.B864",
	year = 1964
}

@Article{1965-Edwards,
	Author = "S. F. Edwards",
	Title = "{The statistical mechanics of polymers with excluded volume}",
	Journal = "Proc. Phys. Soc.",
	Volume = "85",
	Pages = "613–624",
	collection = "polymers",
	doi = "10.1088/0370-1328",
	year = 1965
}

@Article{1965-Kohn-Sham,
	Author = "W. Kohn and L. J. Sham",
	Title = "{Self-consistent equations including exchange and correlation effects}",
	Journal = "Phys. Rev.",
	Volume = "140",
	Number = "4A",
	Pages = "A1133–A1138",
	collection = "quantum chemistry",
	doi = "10.1103/PhysRev.140.A1133",
	keywords = "electronic structure",
	year = 1965
}

@Article{1965-Mermin,
	Author = "N. David Mermin",
	Title = "{Thermal properties of the inhomogeneous electron gas}",
	Journal = "Phys. Rev.",
	Volume = "137",
	Number = "5A",
	Pages = "1441–1443",
	collection = "quantum chemistry",
	doi = "10.1103/PhysRev.137.A1441",
	keywords = "electronic structure",
	year = 1965
}

@Article{1965-Montroll-Weiss,
	Author = "Elliot W. Montroll and George H .Weiss",
	Title = "{Random walks on lattices. II}",
	Journal = "J. Math. Phys.",
	Volume = "6",
	Number = "2",
	Pages = "167–182",
	cited = "1428 (2013-04-29)",
	collection = "statistics",
	doi = "10.1063/1.1704269",
	year = 1965
}

@Article{1965-Waring,
	Author = "Michael J. Waring",
	Title = "{Complex formation between ethidium bromide and nucleic acids}",
	Journal = "J. Mol. Biol.",
	Volume = "13",
	Number = "1",
	Pages = "269–282",
	Note = "UV spectrophotometry shows ethidium binding strongly to every 4-5 nucleotides (and salt concentration effect), and more weaker sites.",
	cited = "707 (2005-04-13)",
	collection = "nucleic acid intercalation",
	doi = "10.1016/S0022-2836(65)80096-1",
	keywords = "nucleic acid intercalation",
	year = 1965
}

@Article{1966-Cizek,
	Author = "Jiří Čížek",
	Title = "{On the correlation problem in atomic and molecular systems. calculation of wavefunction components in Ursell-type expansion using qunatum-field theoretical methods}",
	Journal = "J. Chem. Phys.",
	Volume = "45",
	Number = "11",
	Pages = "4256–4266",
	collection = "quantum chemistry",
	doi = "10.1063/1.1727484",
	keywords = "electronic structure",
	year = 1966
}

@Article{1967-Lepecq-Paoletti,
	Author = "J. B. Lepecq and C. Paoletti",
	Title = "{A fluorescent complex between ethidium bromide and nucleic acids - physical-chemical characterization}",
	Journal = "J. Mol. Biol.",
	Volume = "27",
	Number = "1",
	Pages = "87–106",
	cited = "1418 (2005-04-13)",
	collection = "nucleic acid intercalation",
	doi = "10.1016/0022-2836(67)90353-1",
	keywords = "ethidium",
	year = 1967
}

@Article{1967-Widom,
	Author = "Benjamin Widom",
	Title = "{Intermolecular forces and the nature of the liquid state}",
	Journal = "Science",
	Volume = "157",
	Number = "3787",
	Note = "Convincing summary of the argumentation for separating repulsive and attractive forces between molecules when studying their liquid properties around the triple point and near the critical point, respectively. Page 375: The major features of these forces (..) are known quite well enough (...). The difficulty, rather, is in carrying out the program prescribed by statistical mechanics for relating the intermolecule forces to the bulk macroscopic properties. Page 379: It is through this configuration-dependent deviation from additivity of exclusion volumes that short-ranged repulsive forces produce longer ranged correlations in molecular positions (...).",
	cited = "119 (2013-04-29)",
	collection = "molecular interactions",
	doi = "10.1126/science.157.3787.375",
	keywords = "noncovalent interactions; liquid state; lattice model",
	rating = "3",
	read = "2013-04-29",
	year = 1967
}

@Article{1968-Buckingham-DD,
	Author = "A. David Buckingham and R. L. Disch and D. A. Danmur",
	Title = "{The quadrupole moments of some simple molecules}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "90",
	Number = "12",
	Pages = "3104–3107",
	collection = "molecular electrostatics",
	doi = "10.1021/ja01014a023",
	keywords = "multipole moments",
	year = 1968
}

@Article{1968-Kier,
	Author = "Lemont B. Kier",
	Title = "{Molecular orbital calculations of the preferred conformation of histamine and a theory on its dual activity}",
	Journal = "J. Med. Chem.",
	Volume = "11",
	Number = "3",
	Pages = "441–445",
	collection = "molecular signaling",
	doi = "10.1021/jm00309a005",
	year = 1968
}

@Article{1968-Lamola-Eisinger,
	Author = "Angelo A. Lamola and Josef Eisinger",
	Title = "{On the mechanism of thymine dimerization}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "59",
	Pages = "46–51",
	collection = "nucleic acid bases",
	doi = "10.1073/pnas.59.1.46",
	year = 1968
}

@Article{1970-Boys-Bernardi,
	Author = "S. Francis Boys and Fernando Bernardi",
	Title = "{The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors}",
	Journal = "Mol. Phys.",
	Volume = "19",
	Number = "4",
	Pages = "553–\&",
	collection = "basis set superposition",
	doi = "10.1080/00268977000101561",
	keywords = "basis set superposition error; counterpoise correction",
	rating = "3",
	year = 1970
}

@Article{1970-Buckingham,
	Author = "A. David Buckingham",
	Title = "{Intermolecular forces}",
	Journal = "Pure Appl. Chem.",
	Volume = "24",
	Number = "1",
	Pages = "123–134",
	collection = "molecular interactions",
	doi = "10.1351/pac197024010123",
	keywords = "noncovalent interactions",
	year = 1970
}

@Article{1970-Crick,
	Author = "Francis H. C. Crick",
	Title = "{Central Dogma of Molecular Biology}",
	Journal = "Nature",
	Volume = "227",
	Pages = "561–563",
	collection = "nucleic acids",
	doi = "10.1038/227561a0",
	year = 1970
}

@Article{1970-Kollman-Allen,
	Author = "Peter A. Kollman and Leland C. Allen",
	Title = "{An SCF partitioning scheme for the hydrogen bond}",
	Journal = "Theor. Chim. Acta",
	Volume = "18",
	Pages = "399–403",
	collection = "molecular interactions",
	doi = "10.1007/BF00526460",
	year = 1970
}

@Article{1971-Morokuma,
	Author = "Keiji Morokuma",
	Title = "{Molecular orbital studies of hydrogen bonds. III. C=O...H-O hydrogen bond in H2CO...H2O and H2CO...2H2O}",
	Journal = "J. Chem. Phys.",
	Volume = "55",
	Number = "3",
	Pages = "1236–1244",
	collection = "molecular interactions",
	doi = "10.1063/1.1676210",
	year = 1971
}

@Article{1972-Berne-Pechukas,
	Author = "Bruce J. Berne and Philip Pechukas",
	Title = "{Gaussian model potentials for molecular interactions}",
	Journal = "J. Chem. Phys.",
	Volume = "56",
	Number = "8",
	Pages = "4213–4216",
	collection = "molecular interactions",
	doi = "10.1063/1.1677837",
	rating = "3",
	read = "2012-08-20",
	year = 1972
}

@Article{1972-Kollman-Allen,
	Author = "Peter A. Kollman and Leland C. Allen",
	Title = "{The theory of the hydrogen bond}",
	Journal = "Chem. Rev.",
	Volume = "72",
	Number = "3",
	Pages = "283–303",
	collection = "hydrogen bonding",
	doi = "10.1021/cr60277a004",
	year = 1972
}

@Article{1972-Kollman-BR,
	Author = "Peter A. Kollman and Charles F. Bender and Stephen Rothenberg",
	Title = "{A theoretical prediction of the existence and properties of the lithium hydride dimer}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "94",
	Pages = "8016–8020",
	collection = "hydrogen bonding",
	doi = "10.1021/ja00778a014",
	year = 1972
}

@Article{1972-Rijdt-Duijneveldt,
	Author = "{Jeanne G. C. M. van} {Duijneveldt-van de Rijdt} and {Frans B. van} {Duijneveldt}",
	Title = "{Double-exchange contributions to the first-order interaction energy between closed-shell molecules}",
	Journal = "Chem. Phys. Lett.",
	Volume = "17",
	Number = "3",
	Pages = "425–427",
	collection = "molecular interactions",
	doi = "10.1016/0009-2614(72)87114-8",
	year = 1972
}

@Article{1973-Kier,
	Author = "Lemont B. Kier",
	Title = "{The prediction of molecular conformation as a biologically significant property}",
	Journal = "Pure Appl. Chem.",
	Volume = "35",
	Pages = "509–520",
	collection = "molecular interactions",
	doi = "10.1351/pac197335040509",
	year = 1973
}

@Article{1973-Sharp-SS,
	Author = "P. A. Sharp and B. Sugden and J. Sambrook",
	Title = "{Detection of two restriction endonuclease activities in haemophilus-parainfluenzae using analytical agarose-ethidium bromide electrophoresis}",
	Journal = "Biochemistry",
	Volume = "12",
	Number = "16",
	Pages = "3055–3063",
	cited = "1469 (2005-04-13)",
	collection = "enzymes",
	doi = "10.1021/bi00740a018",
	year = 1973
}

@Article{1974-Kahn-HS,
	Author = "Luis R. Kahn and P. Jeffrey Hay and Isaiah Shavitt",
	Title = "{Theoretical study of curve crossing: ab initio calculations on the four lowest [sup 1] Sigma [sup + ] states of {LiF}}",
	Journal = "J. Chem. Phys.",
	Volume = "61",
	Number = "9",
	Pages = "3530–3546",
	collection = "molecular reactions",
	doi = "10.1063/1.1682533",
	shorttitle = "Theoretical study of curve crossing",
	year = 1974
}

@Article{1974-Politzer-Parr,
	Author = "Peter Politzer and Robert G. Parr",
	Title = "{Some new energy formulas for atoms and molecules}",
	Journal = "J. Chem. Phys.",
	Volume = "61",
	Number = "10",
	Pages = "4258–4262",
	collection = "quantum chemistry",
	doi = "10.1063/1.1681726",
	year = 1974
}

@Article{1974-Shlesinger,
	Author = "Michael F. Shlesinger",
	Title = "{Asymptotic solutions of continuous-time random walks}",
	Journal = "J. Stat. Phys.",
	Volume = "10",
	Number = "5",
	Pages = "421–435",
	cited = "248 (2013-04-29)",
	collection = "statistics",
	doi = "10.1007/BF01008803",
	year = 1974
}

@Article{1975-Bresloff-Crothers,
	Author = "Jeffrey L. Bressloff and Donald M. Crothers",
	Title = "{DNA-ethidium reaction kinetics: demonstration of direct ligand transfer between DNA binding sites}",
	Journal = "J. Mol. Biol.",
	Volume = "95",
	Pages = "103–123",
	collection = "nucleic acid intercalation",
	doi = "10.1016/0022-2836(75)90339-3",
	year = 1975
}

@Article{1975-Cain-AD,
	Author = "Bruce F. Cain and Graham J. Atwell and William A. Denny",
	Title = "{Potential antitumor agents. 16. {4'-(Acridin-9-ylamino)methanesulfonanilides}}",
	Journal = "J. Med. Chem.",
	Volume = "18",
	Number = "11",
	Pages = "1110–1117",
	collection = "nucleic acid drugs",
	doi = "10.1021/jm00245a013",
	year = 1975
}

@Article{1975-Helfand,
	Author = "Eugene Helfand",
	Title = "{Block copolymer theory. III. Statistical mechanics of the microdomain structure}",
	Journal = "Macromolecules",
	Volume = "8",
	Number = "4",
	Pages = "552–556",
	collection = "block copolymers",
	doi = "10.1021/ma60046a032",
	keywords = "block copolymers; microdomains",
	year = 1975
}

@Article{1975-Helfand-1,
	Author = "Eugene Helfand",
	Title = "{Theory of inhomogeneous polymers: fundamentals of the Gaussian random-walk model}",
	Journal = "J. Chem. Phys.",
	Volume = "62",
	Number = "3",
	Pages = "999–1005",
	collection = "polymers",
	doi = "10.1063/1.430517",
	year = 1975
}

@Article{1975-Kier-Holtje,
	Author = "Lemont B. Kier and Hand-Dieter Höltje",
	Title = "{A stochastic model of the remote recognition of preferred conformation in a drug-receptor interaction}",
	Journal = "J. Theor. Biol.",
	Volume = "49",
	Pages = "401–416",
	collection = "molecular interactions",
	doi = "10.1016/0022-5193(75)90181-2",
	year = 1975
}

@Article{1975-Krugh-Reinhardt,
	Author = "Thomas R. Krugh and Christian G. Reinhardt",
	Title = "{Evidence for sequence preferences in intercalative binding of ethidium-bromide to dinucleoside monophosphates}",
	Journal = "J. Mol. Biol.",
	Volume = "97",
	Number = "2",
	Pages = "133–162",
	cited = "184 (2005-04-13)",
	collection = "nucleic acid intercalation",
	doi = "10.1016/S0022-2836(75)80031-3",
	year = 1975
}

@Article{1976-Ebner-SS,
	Author = "C. Ebner and W. F. Saam and D. Stroud",
	Title = "{Density-functional theory of simple classical fluids. I. Surfaces}",
	Journal = "Phys. Rev. A",
	Volume = "14",
	Number = "6",
	Pages = "2264–2273",
	collection = "statistical mechanics",
	doi = "10.1103/PhysRevA.14.2264",
	year = 1976
}

@Article{1976-Hall-Kier,
	Author = "Lowell H. Hall and Lemont B. Kier",
	Title = "{A model for drug-receptor remote recognition applied to certain hydrogen bonding systems}",
	Journal = "J. Theor. Biol.",
	Volume = "58",
	Pages = "177–195",
	collection = "molecular interactions",
	doi = "10.1016/0022-5193(76)90146-6",
	year = 1976
}

@Article{1976-Helfand-Wasserman,
	Author = "Eugene Helfand and Z. R. Wasserman",
	Title = "{Block copolymer theory. 4. Narrow interphase approximation}",
	Journal = "Macromolecules",
	Volume = "9",
	Number = "6",
	Pages = "879–888",
	collection = "polymers",
	doi = "10.1021/ma60054a001",
	keywords = "block copolymers",
	year = 1976
}

@Article{1976-Jeziorski-BP,
	Author = "Bogumił Jeziorski and Marek Bulski and Lucjan Piela",
	Title = "{First-order perturbation treatment of the short-range repulsion in a system of many closed-shell atoms or molecules}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "10",
	Pages = "281–297",
	collection = "molecular interactions",
	doi = "10.1002/qua.560100208",
	year = 1976
}

@Article{1976-Kitaura-Morokuma,
	Author = "Kazuo Kitaura and Keiji Morokuma",
	Title = "{A new energy decomposition scheme for molecular interactions within the {H}artree-{F}ock approximation}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "10",
	Number = "2",
	Pages = "325–340",
	cited = "702 (2005-05-22)",
	collection = "molecular interactions",
	doi = "10.1002/qua.560100211",
	keywords = "interaction energy",
	year = 1976
}

@Article{1977-Dyke-MM,
	Author = "Thomas R. Dyke and Kenneth M. Mack and J. S. Muenter",
	Title = "{The structure of water dimer from molecular beam electric resonance spectroscopy}",
	Journal = "J. Chem. Phys.",
	Volume = "66",
	Number = "2",
	Pages = "498 – 510",
	collection = "hydrogen bonding",
	doi = "10.1063/1.433969",
	systems = "water dimer",
	year = 1977
}

@Article{1977-Hirshfeld,
	Author = "F.L. Hirshfeld",
	Title = "{Bonded-atom fragments for describing molecular charge densities}",
	Journal = "Theor. Chim. Acta",
	Volume = "44",
	Pages = "129–138",
	collection = "molecular fragmentation",
	doi = "10.1007/BF00549096",
	year = 1977
}

@Article{1977-Mezei-Campbell,
	Author = "Mihaly Mezei and Edwin S. Campbell",
	Title = "{Efficient multipole expansion: choice of order and density partitioning techniques}",
	Journal = "Theor. Chim. Acta",
	Volume = "43",
	Pages = "227–237",
	collection = "molecular electrostatics",
	doi = "10.1007/BF00551548",
	keywords = "multipole moments",
	year = 1977
}

@Article{1977-Ziegler-Rauk,
	Author = "Tom Ziegler and Arvi Rauk",
	Title = "{On the calculation of bonding energies by the Hartree Fock Slater method}",
	Journal = "Theor. Chem. Acc.",
	Volume = "46",
	Number = "1",
	Pages = "1–10",
	collection = "molecular interactions",
	doi = "10.1007/BF00551648",
	year = 1977
}

@Article{1978-Berman-NS,
	Author = "Helen M. Berman and Stephen Neidle and R. King Stodola",
	Title = "{Drug-nucleic acid interactions: conformational flexibility at the intercalation site}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "75",
	Number = "2",
	Pages = "828–832",
	collection = "nucleic acid intercalation",
	doi = "10.1073/pnas.75.2.828",
	shorttitle = "Drug-nucleic acid interactions",
	year = 1978
}

@Article{1978-Helfand-Wasserman,
	Author = "Eugene Helfand and Z. R. Wasserman",
	Title = "{Block copolymer theory. 5. Spherical domains}",
	Journal = "Macromolecules",
	Volume = "11",
	Number = "5",
	Pages = "960–966",
	collection = "block copolymers",
	doi = "10.1021/ma60065a023",
	keywords = "block copolymers; microdomains",
	year = 1978
}

@Article{1979-Bader-AD,
	Author = "Richard F. W. Bader and S.G. Anderson and A. J. Duke",
	Title = "{Quantum topology of molecular charge distributions. 1}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "101",
	Number = "6",
	Pages = "1389–1395",
	collection = "molecular structure",
	doi = "10.1021/ja00500a006",
	year = 1979
}

@Article{1979-Bader-NT,
	Author = "Richard F. W. Bader and T. Tung {Nguyen-Dang} and Yoram Tal",
	Title = "{Quantum topology of molecular charge distributions. {II.} Molecular structure and its change}",
	Journal = "J. Chem. Phys.",
	Volume = "70",
	Number = "9",
	Pages = "4316–4329",
	collection = "molecular structure",
	doi = "10.1063/1.438006",
	year = 1979
}

@Article{1979-Otsu,
	Author = "Nobuyuki Otsu",
	Title = "{A threshold selection method from gray-level histograms}",
	Journal = "IEEE Trans. Sys., Man., Cyber.",
	Volume = "9",
	Number = "1",
	Pages = "62–66",
	collection = "informatics",
	doi = "10.1109/TSMC.1979.4310076",
	keywords = "image analysis",
	year = 1979
}

@Article{1979-Stolarczyk-Piela,
	Author = "Leszek Z. Stolarczyk and Lucjan Piela",
	Title = "{Invariance properties of the multipole expansion with respect to the choice of the coordinates system}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "15",
	Pages = "701–711",
	collection = "molecular electrostatics",
	doi = "10.1002/qua.560150613",
	keywords = "multipole expansion",
	year = 1979
}

@Article{1980-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Quantum topology of molecular charge distributions. {III.} The mechanics of an atom in a molecule}",
	Journal = "J. Chem. Phys.",
	Volume = "73",
	Number = "6",
	Pages = "2871–2883",
	collection = "molecular structure",
	doi = "10.1063/1.440457",
	year = 1980
}

@Article{1980-Carbo-LA,
	Author = "R. Carbo and L. Leyda and M. Arnau",
	Title = "{How similar is a molecule to another? An electron density measure of similarity between two molecular structures}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "17",
	Pages = "1185–1189",
	collection = "molecular structure",
	doi = "10.1002/qua.560170612",
	year = 1980
}

@Article{1980-Chen-Schaefer,
	Author = "Maynard M. L. Chen and {Henry F. III} Schaefer",
	Title = "{Potential energy surface for the {Li+HF} –{\textgreater} {LiF+H} reaction}",
	Journal = "J. Chem. Phys.",
	Volume = "72",
	Number = "8",
	Pages = "4376–4393",
	collection = "molecular reactions",
	doi = "10.1063/1.439728",
	year = 1980
}

@Article{1980-Delhalle-PBA,
	Author = "Joseph Delhalle and Lucjan Piela and Jean-Luc Bredas and Jean-Marie Andre",
	Title = "{Multipole expansion in tight-binding Hartree-Fock calculations for infinite model polymers}",
	Journal = "Phys. Rev. B",
	Volume = "22",
	Number = "12",
	Pages = "6254–6267",
	collection = "molecular electrostatics",
	doi = "10.1103/PhysRevB.22.6254",
	keywords = "multipole expansion",
	year = 1980
}

@Article{1980-Dyer,
	Author = "Charles R. Dyer",
	Title = "{Computing the Euler Number of an image from its quadtree}",
	Journal = "Comput. Graphics Image Process.",
	Volume = "13",
	Number = "3",
	Pages = "270–276",
	collection = "informatics",
	doi = "10.1016/0146-664X(80)90050-7",
	keywords = "image analysis; Euler number; algorithms",
	rating = "2",
	read = "2012-11-10",
	year = 1980
}

@Article{1980-Hamming,
	Author = "Richard W. Hamming",
	Title = "{The unreasonable effectiveness of mathematics}",
	Journal = "The American Mathematical Monthly",
	Volume = "87",
	Number = "2",
	Pages = "81–90",
	collection = "philosophy",
	doi = "10.2307/2321982",
	year = 1980
}

@Article{1980-Helfand-Wasserman,
	Author = "Eugene Helfand and Z. R. Wasserman",
	Title = "{Block copolymer theory. 6. Cylindrical domains}",
	Journal = "Macromolecules",
	Volume = "13",
	Number = "4",
	Pages = "994–998",
	collection = "block copolymers",
	doi = "10.1021/ma60076a045",
	keywords = "block copolymers; microdomains",
	year = 1980
}

@Article{1980-Leibler,
	Author = "Ludwik Leibler",
	Title = "{Theory of microphase separation in block copolymers}",
	Journal = "Macromolecules",
	Volume = "13",
	Pages = "1602–1617",
	collection = "block copolymers",
	doi = "10.1021/ma60078a047",
	year = 1980
}

@Article{1980-Stevens,
	Author = "Walter J. Stevens",
	Title = "{Molecular anions: The ground and excited states of {LiF}}",
	Journal = "J. Chem. Phys.",
	Volume = "72",
	Number = "3",
	Pages = "1536–1542",
	collection = "molecular reactions",
	doi = "10.1063/1.439380",
	shorttitle = "Molecular anions",
	year = 1980
}

@Article{1981-Conover-Iman,
	Author = "W. J. Conover and Ronald L. Iman",
	Title = "{Rank transformations as a bridge between parametric and nonparametric statistics}",
	Journal = "The American Statistician",
	Volume = "35",
	Number = "3",
	Pages = "124–133",
	collection = "statistics",
	year = 1981
}

@Article{1981-Graessley-Edwards,
	Author = "W. W. Graessley and S. F. Edwards",
	Title = "{Entanglement interactions in polymers and the chain contour concentration}",
	Journal = "Polymer",
	Volume = "22",
	Number = "10",
	Pages = "1329–1334",
	Note = "Besides the theory, contains a good comparison to experimental data.",
	collection = "polymers",
	doi = "10.1016/0032-3861(81)90231-7",
	read = "2012-02-10",
	year = 1981
}

@Article{1981-Hazi,
	Author = "A. U. Hazi",
	Title = "{[sup 2] Sigma [sup + ] and [sup 2] Pi states of {LiF[sup} - ]}",
	Journal = "J. Chem. Phys.",
	Volume = "75",
	Number = "9",
	Pages = "4586–4591",
	collection = "molecular reactions",
	doi = "10.1063/1.442572",
	year = 1981
}

@Article{1981-Hong-Noolandi,
	Author = "K. M. Hong and J. Noolandi",
	Title = "{Theory of inhomogeneous multicomponent polymer systems}",
	Journal = "Macromolecules",
	Volume = "14",
	Pages = "727–736",
	collection = "polymers",
	doi = "10.1021/ma50004a051",
	year = 1981
}

@Article{1981-Stone,
	Author = "Anthony J. Stone",
	Title = "{Distributed multipole analysis, or how to describe a molecular charge distribution}",
	Journal = "Chem. Phys. Lett.",
	Volume = "83",
	Number = "2",
	Pages = "233–239",
	collection = "molecular electrostatics",
	doi = "10.1016/0009-2614(81)85452-8",
	keywords = "multipole moments; electronic structure",
	year = 1981
}

@Article{1981-Waring,
	Author = "Michael J. Waring",
	Title = "{{DNA} Modification and Cancer}",
	Journal = "Ann. Rev. Biochem.",
	Volume = "50",
	Number = "1",
	Pages = "159–192",
	collection = "nucleic acid drugs",
	doi = "10.1146/annurev.bi.50.070181.001111",
	keywords = "nucleic acids; cancer; nucleic acid mutations",
	year = 1981
}

@Article{1981-Werner-Meyer,
	Author = "{Hans-Joachim} Werner and Wilfried Meyer",
	Title = "{{MCSCF} study of the avoided curve crossing of the two lowest [sup 1] Sigma [sup + ] states of {LiF}}",
	Journal = "J. Chem. Phys.",
	Volume = "74",
	Number = "10",
	Pages = "5802–5807",
	collection = "molecular reactions",
	doi = "10.1063/1.440893",
	year = 1981
}

@Article{1981-Wilson-BWW,
	Author = "William R. Wilson and Bruce C. Baguley and Laurence P. G. Wakelin and Michael J. Waring",
	Title = "{Interaction of the Antitumor Drug {4'-(9-Acridinylamino)methanesulfon-m-anisidide} and Related Acridines with Nucleic Acids}",
	Journal = "Mol. Pharmacol.",
	Volume = "20",
	Number = "2",
	Pages = "404–414",
	collection = "nucleic acid drugs",
	keywords = "intercalation; cancer; nucleic acid intercalation",
	url = "http://molpharm.aspetjournals.org/content/20/2/404.abstract",
	year = 1981
}

@Article{1982-Almlof-FK,
	Author = "Jan Almlöf and Knut Faegri and Knut Korsell",
	Title = "{Principles for a direct SCF approach to LCAO-MO ab initio calculations}",
	Journal = "J. Comp. Chem.",
	Volume = "3",
	Number = "3",
	Pages = "385–599",
	collection = "cheminormatics",
	doi = "10.1002/jcc.540030314",
	year = 1982
}

@Article{1982-Cipriani-Silvi,
	Author = "Joseph Cipriani and Bernard Silvi",
	Title = "{Cartesian expressions for electric multipole moment operators}",
	Journal = "Mol. Phys.",
	Volume = "45",
	Number = "2",
	Pages = "259–272",
	collection = "molecular electrostatics",
	doi = "10.1080/00268978200100211",
	year = 1982
}

@Article{1982-Etchebest-LP,
	Author = "Catherine Etchebest and Richard Lavery and Albert Pullman",
	Title = "{The calculation of molecular electrostatic potential from a multipole expansion based on localized orbitals and developed at their centroids}",
	Journal = "Theor. Chim. Acta",
	Volume = "62",
	Pages = "17–28",
	collection = "molecular electrostatics",
	doi = "10.1007/BF00551050",
	keywords = "multipole expansion",
	year = 1982
}

@Article{1982-Sokalski,
	Author = "W. Andrzej Sokalski",
	Title = "{Improved procedure for analysis of electron density redistribution in molecular complexes}",
	Journal = "J. Chem. Phys.",
	Volume = "77",
	Number = "9",
	Pages = "4529–4541",
	collection = "molecular interactions",
	doi = "10.1063/1.444402",
	year = 1982
}

@Article{1982-Stone-Hayes,
	Author = "Anthony J. Stone and Ian C. Hayes",
	Title = "{Intermolecular perturbation theory for Van der Waals molecules}",
	Journal = "Faraday Discuss.",
	Volume = "73",
	Pages = "19–31",
	collection = "molecular interactions",
	year = 1982
}

@Article{1983-Buckingham-Fowler,
	Author = "A. David Buckingham and P. W. Fowler",
	Title = "{Do electrostatic interactions predict structures of van der Waals molecules?}",
	Journal = "J. Chem. Phys.",
	Volume = "79",
	Number = "12",
	Pages = "6426–6428",
	collection = "molecular electrostatics",
	doi = "10.1063/1.445721",
	year = 1983
}

@Article{1983-Connolly,
	Author = "M.L. Connolly",
	Title = "{Analytical molecular surface calculations. }",
	Journal = "J. Appl. Crystall.",
	Volume = "16",
	Number = "5",
	Pages = "548–558",
	collection = "molecular structure",
	doi = "10.1107/S0021889883010985",
	year = 1983
}

@Article{1983-Connolly-1,
	Author = "M.L. Connolly",
	Title = "{Solvent-accessible surfaces of proteins and nucleic acids}",
	Journal = "Science",
	Volume = "221",
	Pages = "709–713",
	collection = "molecular structure",
	doi = "10.1126/science.6879170",
	keywords = "nucleic acids",
	year = 1983
}

@Article{1983-Maksic-Rupnik,
	Author = "Zvonimir B. Maksic and Kresimir Rupnik",
	Title = "{On the relation between the formal atomic charges and total molecular energies}",
	Journal = "Theor. Chim. Acta",
	Volume = "62",
	Pages = "219–222",
	collection = "quantum chemistry",
	doi = "10.1007/BF00548836",
	year = 1983
}

@Article{1983-Pulay,
	Author = "Peter Pulay",
	Title = "{Localizability of dynamic electron correlation}",
	Journal = "Chem. Phys. Lett.",
	Volume = "100",
	Pages = "151",
	collection = "quantum chemistry",
	doi = "10.1016/0009-2614(83)80703-9",
	keywords = "electronic structure",
	year = 1983
}

@Article{1983-Sokalski-HK,
	Author = "W. Andrzej Sokalski and P. C. Hariharan and Joyce J. Kaufman",
	Title = "{Guidelines for development of basis-sets for the first-order intermolecular interactions energy calculations}",
	Journal = "J. Comp. Chem.",
	Volume = "4",
	Number = "4",
	Pages = "506–512",
	collection = "molecular interactions",
	doi = "10.1002/jcc.540040409",
	year = 1983
}

@Article{1983-Sokalski-HK-1,
	Author = "W. Andrzej Sokalski and P. C. Hariharan and Joyce J. Kaufman",
	Title = "{A self-consistent field interaction energy decomposition study of 12 hydrogen-bonded dimers}",
	Journal = "J. Phys. Chem.",
	Volume = "87",
	Pages = "2803–2810",
	collection = "molecular interactions",
	doi = "10.1021/j100238a022",
	year = 1983
}

@Article{1983-Sokalski-Poirier,
	Author = "W. Andrzej Sokalski and Raymond A. Poirier",
	Title = "{Cumulative atomic multipole representation of the molecular charge-distribution and its basis set dependence}",
	Journal = "Chem. Phys. Lett.",
	Volume = "98",
	Number = "1",
	Pages = "86–92",
	cited = "118 (2005-05-05)",
	collection = "molecular electrostatics",
	doi = "10.1016/0009-2614(83)80208-5",
	year = 1983
}

@Article{1983-Sokalski-RHK,
	Author = "W. Andrzej Sokalski and Szczepan Roszak and P. C. Hariharan and Joyce J. Kaufman",
	Title = "{Improved {SCF} interaction energy decomposition scheme corrected for basis set superposition effect}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "23",
	Pages = "847–854",
	collection = "molecular interactions",
	doi = "10.1002/qua.560230308",
	year = 1983
}

@Article{1984-Aggarwal-IKN,
	Author = "Aneel Aggarwal and Suhail A. Islam and Reiko Kuroda and Stephen Neidle",
	Title = "{X-ray crystallographic analysis of a ternary intercalation complex between proflavine and the dinucleoside monophosphates {CpA} and {UpG}}",
	Journal = "Biopolymers",
	Volume = "23",
	Number = "6",
	Pages = "1025–1041",
	collection = "nucleic acid intercalation",
	doi = "10.1002/bip.360230605",
	keywords = "nucleic acid intercalation",
	methods = "X-ray diffraction",
	systems = "proflavine@CA; proflavine@UG",
	year = 1984
}

@Article{1984-Bader-Essen,
	Author = "Richard F. W. Bader and H. Essen",
	Title = "{The characterization of atomic interactions}",
	Journal = "J. Chem. Phys.",
	Volume = "80",
	Number = "5",
	Pages = "1943–1960",
	collection = "molecular structure",
	doi = "10.1063/1.446956",
	year = 1984
}

@Article{1984-Bagus-HB,
	Author = "Paul S. Bagus and K. Hermann and Jr. Bauschlicher",
	Title = "{A new analysis of charge transfer and polarization for ligand–metal bonding: Model studies of Al[sub {4]CO} and Al[sub {4]NH[sub} 3]}",
	Journal = "J. Chem. Phys.",
	Volume = "80",
	Number = "9",
	Pages = "4378–4386",
	collection = "molecular interactions",
	doi = "10.1063/1.447215",
	shorttitle = "A new analysis of charge transfer and polarization for ligand–metal bonding",
	year = 1984
}

@Article{1984-Blumen-ZK,
	Author = "A. Blumen and G. Zumofen and J. Klafter",
	Title = "{Target annihilation by random walkers}",
	Journal = "Phys. Rev. B",
	Volume = "30",
	Number = "9",
	Pages = "5379–5383",
	cited = "118 (2013-04-29)",
	collection = "statistics",
	doi = "10.1103/PhysRevB.30.5379",
	year = 1984
}

@Article{1984-Howard-DK,
	Author = "Brian J. Howard and Thomas R. Dyke and William Klemperer",
	Title = "{The molecular beam spectrum and the structure of the hydrogen fluoride dimer}",
	Journal = "J. Chem. Phys.",
	Volume = "81",
	Number = "12",
	Pages = "5417–5425",
	collection = "hydrogen bonding",
	doi = "10.1063/1.447641",
	systems = "HF dimer",
	year = 1984
}

@Article{1984-Jain-Sobell,
	Author = "S. C. Jain and H. M. Sobell",
	Title = "{Visualization of Drug-Nucleic Acid Interactions at Atomic Resolution. VIII. Structures of Two Ethidiumdinucleoside Monophosphate Crystalline Complexes Containing Ethidium: Cytidylyl(3'-5')Guanosine}",
	Journal = "J. Biomol. Struct. Dyn.",
	Volume = "1",
	Number = "5",
	Pages = "1179–1194",
	collection = "nucleic acid intercalation",
	year = 1984
}

@Article{1984-Jain-Sobell-1,
	Author = "S. C. Jain and H. M. Sobell",
	Title = "{Visualization of drug-nucleic acid interactions at atomic resolution .7. structure of an ethidium dinucleoside monophosphate crystalline complex, ethidium - uridylyl(3'-5')adenosine}",
	Journal = "J. Biomol. Struct. Dyn.",
	Volume = "1",
	Number = "5",
	Pages = "1161–1177",
	collection = "nucleic acid intercalation",
	year = 1984
}

@Article{1984-Latajka-Scheiner,
	Author = "Zdzisław Latajka and Steve Scheiner",
	Title = "{Effects of basis set and electron correlation on the calculated properties of the ammonia dimer}",
	Journal = "J. Chem. Phys.",
	Volume = "81",
	Number = "1",
	Pages = "407–409",
	collection = "basis set dependence",
	doi = "10.1063/1.447319",
	year = 1984
}

@Article{1984-LeFeber-NRHLKBKW,
	Author = "W. P. LeFeber and D. A. Norris and S. R. Ryan and J. C. Huff and L. A. Lee and M. Kubo and S. T. Boyce and B. L. Kotzin and W. L. Weston",
	Title = "{Ultraviolet light induces binding of antibodies to selected nuclear antigens on cultured human keratinocytes}",
	Journal = "J. Clin. Invest.",
	Volume = "74",
	Number = "4",
	Pages = "1545–1551",
	collection = "cells",
	year = 1984
}

@Article{1984-Singh-Kollman,
	Author = "U. C. Singh and P. A. Kollman",
	Title = "{An approach to computing electrostatic charges for molecules}",
	Journal = "J. Comput. Chem.",
	Volume = "5",
	Pages = "129–45",
	collection = "molecular electrostatics",
	doi = "10.1002/jcc.540050204",
	year = 1984
}

@Article{1984-Stone-Tough,
	Author = "Anthony J. Stone and R. J. A. Tough",
	Title = "{Spherical tensor theory of long-range intermolecular forces}",
	Journal = "Chem. Phys. Lett.",
	Volume = "110",
	Number = "2",
	collection = "molecular interactions",
	doi = "10.1016/0009-2614(84)80160-8",
	year = 1984
}

@Article{1984-Tang-Toennies,
	Author = "Kwong-Tin Tang and J. Peter Toennies",
	Title = "{An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients}",
	Journal = "J. Chem. Phys.",
	Volume = "80",
	Number = "8",
	Pages = "3726–3741",
	collection = "molecular interactions",
	doi = "10.1063/1.447150",
	year = 1984
}

@Article{1985-Amos-HKRS,
	Author = "R. D. Amos and N. C. Handy and P. J. Knowles and J.E. Rice and Anthony J. Stone",
	Title = "{Ab-initio prediction of properties of CO2, NH3, and CO2...NH3}",
	Journal = "J. Phys. Chem.",
	Volume = "89",
	Pages = "2186–2192",
	collection = "molecular electrostatics",
	doi = "10.1021/j100257a010",
	year = 1985
}

@Article{1985-Brown-Altermatt,
	Author = "I. D. Brown and D. Altermatt",
	Title = "{Bond-valence parameters obtained from a systematic analysis of the inorganic crystal structure database}",
	Journal = "Acta Cryst. B",
	Volume = "41",
	Pages = "244–247",
	collection = "crystallography",
	doi = "10.1107/S0108768185002063",
	keywords = "bond valence",
	methods = "bond valence method",
	rating = "3",
	read = "2014-02-01",
	year = 1984
}

@Article{1985-Buckingham-Fowler,
	Author = "A. David Buckingham and P. W. Fowler",
	Title = "{A model for the geometries of van der Waals complexes}",
	Journal = "Can. J. Chem.",
	Volume = "63",
	Pages = "2018–2025",
	collection = "molecular electrostatics",
	doi = "10.1139/v85-334",
	year = 1985
}

@Article{1985-Cammi-BT,
	Author = "R. Cammi and R. Bonaccorsi and Jacopo Tomasi",
	Title = "{Counterpoise corrections to the interaction energy components in bimolecular complexes}",
	Journal = "Theor. Chim. Acta",
	Volume = "68",
	Number = "4",
	Pages = "271–283",
	collection = "basis set superposition",
	doi = "10.1007/BF00527535",
	keywords = "counterpoise correction",
	year = 1985
}

@Article{1985-Car-Parinello,
	Author = "M. Car and M. Parrinello",
	Title = "{Unified approach for molecular dynamics and density functional theory}",
	Journal = "Phys. Rev. Lett.",
	Volume = "55",
	Number = "22",
	Pages = "2471–2474",
	collection = "molecular dynamics",
	doi = "10.1103/PhysRevLett.55.2471",
	rating = "3",
	year = 1985
}

@Article{1985-Pommier-MSZK,
	Author = "Yves Pommier and Jon K. Minford and Ronald E. Schwartz and Leonard A. Zwelling and Kurt W. Kohn",
	Title = "{Effects of the {DNA} intercalators 4'-(9-acridinylamino)methanesulfon-m-anisidide and 2-methyl-9-hydroxyellipticinium on topoisomerase {II} mediated {DNA} strand cleavage and strand passage}",
	Journal = "Biochemistry",
	Volume = "24",
	Number = "23",
	Pages = "6410–6416",
	collection = "nucleic acid drugs",
	doi = "10.1021/bi00344a015",
	keywords = "nucleic acid intercalation",
	year = 1985
}

@Article{1985-Schwenke-Truhlar,
	Author = "David W. Schwenke and Donald G. Truhlar",
	Title = "{Systematic study of basis set superposition errors in the calculated interaction energy of two {HF} molecules}",
	Journal = "J. Chem. Phys.",
	Volume = "82",
	Number = "5",
	Pages = "2418–2426",
	cited = "394 (2005-05-29)",
	collection = "basis set superposition",
	doi = "10.1063/1.448335",
	year = 1985
}

@Article{1985-Sokalski,
	Author = "W. Andrzej Sokalski",
	Title = "{The physical nature of catalytic activity due to the molecular environment in terms of intermolecular interaction theory: derivation of simplified models}",
	Journal = "J. Mol. Catal.",
	Volume = "30",
	Pages = "395–410",
	collection = "molecular catalysis",
	doi = "10.1016/0304-5102(85)85049-5",
	year = 1985
}

@Article{1985-Stone-Alderton,
	Author = "Anthony J. Stone and M. Alderton",
	Title = "{Distributed multipole analysis. Methods and applications}",
	Journal = "Mol. Phys.",
	Volume = "56",
	Number = "5",
	Pages = "1047–1064",
	collection = "molecular electrostatics",
	doi = "10.1080/00268978500102891",
	keywords = "multipole moments",
	methods = "DMA",
	year = 1985
}

@Article{1986-Breslauer-FBM,
	Author = "Kenneth J. Breslauer and Ronald Frank and Helmut Blöcker and Luis A. Marky",
	Title = "{Predicting {DNA} duplex stability from the base sequence}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "83",
	Number = "11",
	Pages = "3746–3750",
	collection = "nucleic acids",
	doi = "10.1073/pnas.83.11.3746",
	keywords = "nucleic acid stability",
	year = 1986
}

@Article{1986-Buckingham-FS,
	Author = "A. David Buckingham and P. W. Fowler and Anthony J. Stone",
	Title = "{Electrostatic predictions of shapes and properties of Van der Waals molecules}",
	Journal = "Int. Rev. Phys. Chem.",
	Volume = "5",
	Pages = "107–114",
	collection = "molecular electrostatics",
	doi = "10.1080/01442358609353370",
	methods = "DMA",
	year = 1986
}

@Article{1986-Hurst-FSB,
	Author = "G. J. B. Hurst and P. W. Fowler and Anthony J. Stone and A. David Buckingham",
	Title = "{Intermolecular forces in van der Waals dimers}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "29",
	Pages = "1223–1239",
	collection = "molecular interactions",
	doi = "10.1002/qua.560290520",
	year = 1986
}

@Article{1986-Minford-PFKKMMSZ,
	Author = "Jon K. Minford and Yves Pommier and Jan Filipski and Kurt W. Kohn and Donna Kerrigan and Michael Mattern and Steven Michaels and Ronald E. Schwartz and Leonard A. Zwelling",
	Title = "{Isolation of intercalator-dependent protein-linked {DNA} strand cleavage activity from cell nuclei and identification as topoisomerase {II}}",
	Journal = "Biochemistry",
	Volume = "25",
	Number = "1",
	Pages = "9–16",
	collection = "nucleic acid drugs",
	doi = "10.1021/bi00349a002",
	year = 1986
}

@Article{1986-Spackman,
	Author = "Mark A. Spackman",
	Title = "{A simple quantitative model of hydrogen bonding}",
	Journal = "J. Chem. Phys.",
	Volume = "85",
	Number = "11",
	Pages = "6587–6601",
	collection = "hydrogen bonding",
	doi = "10.1063/1.451441",
	year = 1986
}

@Article{1986-Szczesniak-Scheiner,
	Author = "Małgorzata M. Szczęśniak and Steve Scheiner",
	Title = "{Correction of the basis set superposition error in {SCF} and {MP2} interaction energies. The water dimer}",
	Journal = "J. Chem. Phys.",
	Volume = "84",
	Number = "11",
	Pages = "6328 – 6335",
	collection = "basis set superposition",
	doi = "10.1063/1.450725",
	methods = "MP2",
	systems = "water dimer",
	year = 1986
}

@Article{1987-Bader-CCC,
	Author = "Richard F. W. Bader and Marshall T. Carroll and James R. Cheeseman and Cheng Chang",
	Title = "{Properties of atoms in molecules: atomic volumes}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "109",
	Number = "26",
	Pages = "7968–7979",
	collection = "molecular fragmentation",
	doi = "10.1021/ja00260a006",
	shorttitle = "Properties of atoms in molecules",
	year = 1987
}

@Article{1987-Bader-LGCMW,
	Author = "Richard F. W. Bader and A. Larouche and Carlo Gatti and Marshall T. Carroll and Preston J. {MacDougall} and K. B. Wiberg",
	Title = "{Properties of atoms in molecules: Dipole moments and transferability of properties}",
	Journal = "J. Chem. Phys.",
	Volume = "87",
	Number = "2",
	Pages = "1142–1152",
	collection = "molecular fragmentation",
	doi = "10.1063/1.453294",
	shorttitle = "Properties of atoms in molecules",
	year = 1987
}

@Article{1987-Breslauer-RCFCZSM,
	Author = "Kenneth J. Breslauer and David P. Remeta and Wan-Yin Chou and Robert Ferrante and James Curry and Denise Zaunczkowski and James G. Snyder and Luis A. Marky",
	Title = "{Enthalpy-entropy compensations in drug-{DNA} binding studies}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "84",
	Number = "24",
	Pages = "8922–8926",
	cited = "146 (2005-05-14)",
	collection = "nucleic acid intercalation",
	year = 1987
}

@Article{1987-Fredrickson-Helfand,
	Author = "Glenn H. Fredrickson and Eugene Helfand",
	Title = "{Fluctuation effects in the theory of microphase separation in block copolymers}",
	Journal = "J. Chem. Phys.",
	Volume = "87",
	Number = "1",
	Pages = "697–705",
	collection = "polymers",
	doi = "10.1063/1.453566",
	year = 1987
}

@Article{1987-Gutowski-DCP,
	Author = "Maciej Gutowski and {Frans B. van} {Duijneveldt} and Grzegorz Chałasiński and Lucjan Piela",
	Title = "{Proper correction for the basis set superposition error in SCF calculations of intermolecular interactions}",
	Journal = "Mol. Phys.",
	Volume = "61",
	Pages = "233",
	collection = "basis set superposition",
	doi = "10.1080/00268978700101101",
	year = 1987
}

@Article{1987-Hinton-Nowlan,
	Author = "Geoffrey E. Hinton and Steven J. Nowlan",
	Title = "{How learning can guide evolution}",
	Journal = "Complex Systems",
	Volume = "1",
	Number = "3",
	Pages = "495–502",
	collection = "evolution",
	keywords = "neural network; Baldwin effect",
	rating = "3",
	read = "2015-01-31",
	year = 1987
}

@Article{1987-Hwang-Warshel,
	Author = "J.-K. Hwang and Arieh Warshel",
	Title = "{Semiquantitative calculations of catalytic free energies in genetically modified enzymes}",
	Journal = "Biochemistry",
	Volume = "26",
	Pages = "2669–2673",
	collection = "enzymes",
	year = 1987
}

@Article{1987-Pommier-CKMMK,
	Author = "Yves Pommier and Joseph Covey and Donna Kerrigan and William Mattes and Judith Markovits and Kurt W. Kohn",
	Title = "{Role of {DNA} intercalation in the inhibition of purified mouse leukemia {(L1210)} {DNA} topoisomerase {II} by 9-aminoacridines}",
	Journal = "Biochem. Pharmacol.",
	Volume = "36",
	Number = "20",
	Pages = "3477–3486",
	collection = "nucleic acid drugs",
	doi = "10.1016/0006-2952(87)90329-7",
	year = 1987
}

@Article{1987-Pople-HR,
	Author = "John A. Pople and Martin Head-Gordon and Krishnan Raghavachari",
	Title = "{Quadratic configuration interaction. A general technique for determining electron correlation energies}",
	Journal = "J. Chem. Phys.",
	Volume = "87",
	Number = "10",
	Pages = "5968–5975",
	collection = "quantum chemistry",
	doi = "10.1063/1.453520",
	year = 1987
}

@Article{1987-Price-Stone,
	Author = "Sarah L. Price and Anthony J. Stone",
	Title = "{The electrostatic interactions in van der {W}aals complexes involving aromatic molecules}",
	Journal = "J. Chem. Phys.",
	Volume = "86",
	Number = "5",
	Pages = "2859–2868",
	collection = "stacking",
	doi = "10.1063/1.452037",
	year = 1987
}

@Article{1987-Schweizer-Curro,
	Author = "Kenneth S. Schweizer and John G. Curro",
	Title = "{Integral-equation theory of the structure of polymer melts}",
	Journal = "Phys. Rev. Lett.",
	Volume = "58",
	Number = "3",
	Pages = "246–249",
	collection = "polymers",
	doi = "10.1103/PhysRevLett.58.246",
	year = 1987
}

@Article{1987-Sokalski-Sawaryn,
	Author = "W. Andrzej Sokalski and Andrzej Sawaryn",
	Title = "{Correlated molecular and cumulative atomic multipole moments}",
	Journal = "J. Chem. Phys.",
	Volume = "87",
	Number = "1",
	Pages = "526–534",
	cited = "76 (2005-05-05)",
	collection = "molecular electrostatics",
	doi = "10.1063/1.453600",
	year = 1987
}

@Article{1987-Spackman,
	Author = "Mark A. Spackman",
	Title = "{A simple quantitative model of hydrogen bonding. Application to more complex systems}",
	Journal = "J. Phys. Chem.",
	Volume = "91",
	Pages = "3179–3186",
	collection = "hydrogen bonding",
	doi = "10.1021/j100296a015",
	year = 1987
}

@Article{1987-Stevens-Fink,
	Author = "Walter J. Stevens and William H. Fink",
	Title = "{Frozen fragment reduced variational space analysis of hydrogen bonding interactions. Application to the water dimer}",
	Journal = "Chem. Phys. Lett.",
	Volume = "139",
	Number = "1",
	Pages = "15–22",
	collection = "molecular interactions",
	doi = "10.1016/0009-2614(87)80143-4",
	year = 1987
}

@Article{1988-Bauschlicher-Langhoff,
	Author = "Charles W. Bauschlicher and Stephen R. Langhoff",
	Title = "{Full configuration-interaction study of the ionic–neutral curve crossing in {LiF}}",
	Journal = "J. Chem. Phys.",
	Volume = "89",
	Number = "7",
	Pages = "4246",
	collection = "molecular reactions",
	doi = "10.1063/1.455702",
	year = 1988
}

@Article{1988-Ben-Chetrit-CST,
	Author = "Eldad Ben-Chetrit and Edward K. L. Chan and Kevin F. Sullivan and Eng M. Tan",
	Title = "{A 52-kD protein is a novel component of the SS-A/Ro antigenic particle}",
	Journal = "J. Exp. Med.",
	Volume = "167",
	Pages = "1560–1571",
	collection = "cells",
	year = 1988
}

@Article{1988-Buckingham-FH,
	Author = "A. David Buckingham and P. W. Fowler and Jeremy M. Hutson",
	Title = "{Theoretical studies of van der Waals molecules and intermolecular forces}",
	Journal = "Chem. Rev.",
	Volume = "88",
	Pages = "963–988",
	collection = "molecular interactions",
	doi = "10.1021/cr00088a008",
	year = 1988
}

@Article{1988-Chalasinski-Gutowski,
	Author = "Grzegorz Chałasiński and Maciej Gutowski",
	Title = "{Weak interactions between small systems. Models for studying the nature of intermolecular forces and challenging problems for ab initio calculations}",
	Journal = "Chem. Rev.",
	Volume = "88",
	Pages = "943–962",
	collection = "molecular interactions",
	doi = "10.1021/cr00088a007",
	year = 1988
}

@Article{1988-Gatti-MB,
	Author = "Carlo Gatti and Preston J. {MacDougall} and Richard F. W. Bader",
	Title = "{Effect of electron correlation on the topological properties of molecular charge distributions}",
	Journal = "J. Chem. Phys.",
	Volume = "88",
	Number = "6",
	Pages = "3792–3804",
	collection = "quantum chemistry",
	doi = "10.1063/1.453879",
	year = 1988
}

@Article{1988-Hobza-Zahradnik,
	Author = "Pavel Hobza and Rudolf Zahradnik",
	Title = "{Intermolecular interactions between medium-sized systems. Nonempirical and empirical calculations of interaction energies: successes and failures}",
	Journal = "Chem. Rev.",
	Volume = "88",
	Pages = "871–897",
	collection = "molecular interactions",
	doi = "10.1021/cr00088a004",
	year = 1988
}

@Article{1988-Latajka-Scheiner,
	Author = "Zdzisław Latajka and Steve Scheiner",
	Title = "{Structure, energetics and vibrational spectra of H-bonded systems. Dimers and trimers of HF and HCL}",
	Journal = "Chem. Phys.",
	Volume = "122",
	Pages = "413–430",
	collection = "hydrogen bonding",
	doi = "10.1016/0301-0104(88)80023-5",
	keywords = "hydrogen bonding",
	year = 1988
}

@Article{1988-Sokalski-RP,
	Author = "W. Andrzej Sokalski and Szczepan Roszak and Krzysztof Pecul",
	Title = "{An efficient procedure for decomposition of the {SCF} interaction energy into components with reduced basis set dependence}",
	Journal = "Chem. Phys. Lett.",
	Volume = "153",
	Number = "2-3",
	Pages = "153–159",
	cited = "61 (2005-05-05)",
	collection = "molecular interactions",
	doi = "10.1016/0009-2614(88)85203-5",
	year = 1988
}

@Article{1988-Szalewicz-CKB,
	Author = "Krzysztof Szalewicz and S. J. Cole and Włodzimierz Kołos and R. J. Bertlett",
	Title = "{A theoretical study of the water dimer interaction}",
	Journal = "J. Chem. Phys.",
	Volume = "89",
	Number = "6",
	Pages = "3662 – 3673",
	collection = "hydrogen bonding",
	doi = "10.1063/1.454886",
	year = 1988
}

@Article{1988-Vigne-Maeder-Claverie,
	Author = "Fabienne Vigne-Maeder and Pierre Claverie",
	Title = "{The exact multicenter multipolar part of a molecular charge dsitribution and its simplified representations}",
	Journal = "J. Chem. Phys.",
	Volume = "88",
	Number = "8",
	Pages = "4934–4948",
	collection = "molecular electrostatics",
	doi = "10.1063/1.454705",
	year = 1988
}

@Article{1989-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Atoms in molecules in external fields}",
	Journal = "J. Chem. Phys.",
	Volume = "91",
	Number = "11",
	Pages = "6989–7001",
	collection = "quantum chemistry",
	doi = "10.1063/1.457315",
	year = 1989
}

@Article{1989-Haser-Ahlrichs,
	Author = "Marco Haser and Reinhart Ahlrichs",
	Title = "{Improvements on the direct SCF method}",
	Journal = "J. Comp. Chem.",
	Volume = "10",
	Number = "1",
	Pages = "104–111",
	collection = "cheminformatics",
	doi = "10.1002/jcc.540100111",
	year = 1989
}

@Article{1989-Matouschek-KSF,
	Author = "Andreas Matouschek and James T. {Kellis Jr.} and Luis Serrano and Alan R. Fersht",
	Title = "{Mapping the transition state and pathway of protein folding by protein engineering}",
	Journal = "Nature",
	Volume = "340",
	Pages = "122–126",
	collection = "protein structure",
	doi = "10.1038/340122a0",
	keywords = "protein folding",
	rating = "3",
	read = "2012-11-25",
	year = 1989
}

@Article{1989-Russell-CDM,
	Author = "Thomas P. Russell and G. Coulon and V. R. Deline and D. C. Miller",
	Title = "{Characteristics of the surface-induced orientation for symmetric diblock PS/PMMA copolymers}",
	Journal = "Macromolecules",
	Volume = "22",
	Pages = "4600–4606",
	collection = "block copolymers",
	doi = "10.1021/ma00202a036",
	keywords = "block copolymers; thin films",
	rating = "2",
	year = 1989
}

@Article{1989-Rybak-SJ,
	Author = "S. Rybak and Krzysztof Szalewicz and Bogumił Jeziorski",
	Title = "{An accurate calculation of the 1st-order interaction energy for the helium dimer}",
	Journal = "J. Chem. Phys.",
	Volume = "91",
	Number = "8",
	Pages = "4779 – 4784",
	collection = "molecular interactions",
	doi = "10.1063/1.456767",
	year = 1989
}

@Article{1989-Sawaryn-Sokalski,
	Author = "Andrzej Sawaryn and W. Andrzej Sokalski",
	Title = "{Cumulative atomic multipole moments and point-charge models describing molecular charge-distribution}",
	Journal = "Comput. Phys. Commun.",
	Volume = "52",
	Number = "3",
	Pages = "397–408",
	cited = "14 (2005-05-05)",
	collection = "molecular electrostatics",
	doi = "10.1016/0010-4655(89)90114-8",
	methods = "CAMM",
	year = 1989
}

@Article{1989-Snyder-HDKRB,
	Author = "James G. Snyder and Neil G. Hartman and Beatrice Langlois {D'Estantoit} and Olga Kennard and David P. Remeta and Kenneth J. Breslauer",
	Title = "{Binding of actinomycin D to {DNA:} evidence for a nonclassical high-affinity binding mode that does not require {GpC} sites.}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "86",
	Number = "11",
	Pages = "3968–3972",
	collection = "nucleic acid intercalation",
	doi = "10.1073/pnas.86.11.3968",
	shorttitle = "Binding of actinomycin D to {DNA}",
	year = 1989
}

@Article{1989-Weissman-WH,
	Author = "Haim Weissman and George H .Weiss and Shlomo Havlin",
	Title = "{Transport properties of the continuous-time random walk with a long-tailed waiting-time density}",
	Journal = "J. Stat. Phys.",
	Volume = "57",
	Number = "1-2",
	Pages = "301–318",
	cited = "47 (2013-04-29)",
	collection = "statistics",
	doi = "10.1007/BF01023645",
	year = 1989
}

@Article{1990-Altschul-GMML,
	Author = "Stephen F. Altschul and Warren Gish and Webb Miller and Eugene W. Myers and David J. Lipman",
	Title = "{Basic local alignment search tool}",
	Journal = "J. Mol. Biol.",
	Volume = "215",
	Pages = "403–410",
	collection = "cheminformatics",
	doi = "10.1016/S0022-2836(05)80360-2",
	year = 1990
}

@Article{1990-Barthel-BBH,
	Author = "J. Barthel and K. Bachhuber and R. Buchner and H. Hetzenauer",
	Title = "{Dielectric spectra of some common solvent in the microwave region. Water and lower alcohols}",
	Journal = "Chem. Phys. Lett.",
	Volume = "165",
	Number = "4",
	Pages = "369–373",
	cited = "336 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1016/0009-2614(90)87204-5",
	year = 1990
}

@Article{1990-Frisch-HP,
	Author = "Michael J. Frisch and Martin Head-Gordon and John A. Pople",
	Title = "{A direct MP2 gradient method}",
	Journal = "Chem. Phys. Lett.",
	Volume = "166",
	Pages = "275–280",
	collection = "cheminformatics",
	doi = "10.1016/0009-2614(90)80029-D",
	keywords = "algorithms",
	year = 1990
}

@Article{1990-Furukawa-KLN,
	Author = "Fukumi Furukawa and Mari Kashihara-Sawami and Martin B. Lyons and David A. Norris",
	Title = "{Binding antibodies to the extractable nuclear antigens SS-A/Ro and SS-B/La is induced on the surface of human keratinocytes by ultraviolet light (UVL): implications for the pathogenesis of photosensitive cutaneous lupus}",
	Journal = "J. Invest. Dermatol.",
	Volume = "94",
	Number = "1",
	Pages = "77–85",
	collection = "cells",
	year = 1990
}

@Article{1990-Laidig-Bader,
	Author = "Keith E. Laidig and Richard F. W. Bader",
	Title = "{Properties of atoms in molecules: Atomic polarizabilities}",
	Journal = "J. Chem. Phys.",
	Volume = "93",
	Number = "10",
	Pages = "7213–7224",
	collection = "molecular fragmentation",
	doi = "10.1063/1.459444",
	shorttitle = "Properties of atoms in molecules",
	year = 1990
}

@Article{1990-Lee-Rendell-Taylor,
	Author = "T. J. Lee and A. P. Rendell and P. R. Taylor",
	Title = "{Comparison of the quadratic configuration-interaction and coupled-cluster approaches to electron correlation including the effect of triple excitations}",
	Journal = "J. Phys. Chem.",
	Volume = "94",
	Number = "14",
	Pages = "5463–5468",
	collection = "quantum chemistry",
	doi = "10.1021/j100377a008",
	year = 1990
}

@Article{1990-Thijsse-Sietsma,
	Author = "Barend J. Thijsse and Jilt Sietsma",
	Title = "{A critical look at the RDFs of 11 different amorphous alloys}",
	Journal = "J. Non-Cryst. Solids",
	Volume = "177-188",
	Number = "1",
	Pages = "176–179",
	collection = "statistical mechanics",
	doi = "10.1016/0022-3093(90)90907-4",
	keywords = "metallic glasses; radial distribution function",
	rating = "2",
	read = "2012-09-01",
	year = 1990
}

@Article{1991-Bader,
	Author = "Richard F. W. Bader",
	Title = "{A quantum theory of molecular structure and its applications}",
	Journal = "Chem. Rev.",
	Volume = "91",
	Number = "5",
	Pages = "893–928",
	collection = "quantum chemistry",
	doi = "10.1021/cr00005a013",
	year = 1991
}

@Article{1991-Brese-OKeeffe,
	Author = "N. E. Brese and M. O'Keeffe",
	Title = "{Bond-valence parameters for solids}",
	Journal = "Acta Cryst. B",
	Volume = "47",
	Pages = "192–197",
	collection = "crystallography",
	doi = "10.1107/S0108768190011041",
	keywords = "bond valence",
	rating = "2",
	read = "2013-02-02",
	year = 1991
}

@Article{1991-Guttman-Cooke,
	Author = "Andras Guttman and Nelson Cooke",
	Title = "{Capillary gel affinity electrophoresis of {DNA} fragments}",
	Journal = "Anal. Chem.",
	Volume = "63",
	Number = "18",
	Pages = "2038–2042",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ac00018a027",
	year = 1991
}

@Article{1991-Jorgensen-IMBZ,
	Author = "Kent Jørgensen and John Hjort Ipsen and Ole G. Mouritsen and Donald Bennett and Martin J. Zuckermann",
	Title = "{A general model for the interaction of foreign molecules with lipid membranes: drugs and anaesthetics}",
	Journal = "Biochim. Biophys. Acta",
	Volume = "1062",
	Pages = "227–238",
	collection = "lipids",
	doi = "10.1016/0005-2736(91)90397-Q",
	keywords = "lattice model",
	year = 1991
}

@Article{1991-Prusiner,
	Author = "Stanley B. Prusiner",
	Title = "{Molecular Biology of Prion Diseases}",
	Journal = "Science",
	Volume = "252",
	Pages = "1515–1522",
	collection = "proteins",
	doi = "10.1126/science.1675487",
	year = 1991
}

@Article{1991-Rappe-Goddard,
	Author = "Anthony K. Rappe and William {A. III} Goddard",
	Title = "{Charge equilibrium for molecular dynamics simulations}",
	Journal = "J. Phys. Chem.",
	Volume = "95",
	Pages = "3358–3363",
	collection = "molecular dynamics",
	doi = "10.1021/j100161a070",
	rating = "3",
	read = "2012-02-01",
	year = 1991
}

@Article{1991-Sokalski-LLSSOR,
	Author = "W. Andrzej Sokalski and Jack Lai and Ning Luo and S. Sun and M. Shibata and Rick L. Ornstein and Rein Rein",
	Title = "{Ab initio study of the electrostatic multipole nature of torsional potentials}",
	Journal = "Int. J. Quant. Chem.",
	Pages = "61–71",
	collection = "molecular electrostatics",
	doi = "10.1002/qua.560400711",
	year = 1991
}

@Article{1991-Sokalski-Roszak,
	Author = "W. Andrzej Sokalski and Szczepan Roszak",
	Title = "{Efficient techniques for the decomposition of intermolecular interaction energy at SCF level and beyond}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "234",
	Pages = "387–400",
	collection = "molecular interactions",
	doi = "10.1016/0166-1280(91)89025-V",
	year = 1991
}

@Article{1991-Wadkins-Graves,
	Author = "Randy M. Wadkins and David E. Graves",
	Title = "{Interactions of anilinoacridines with nucleic acids: effects of substituent modifications on {DNA-binding} properties}",
	Journal = "Biochemistry",
	Volume = "30",
	Number = "17",
	Pages = "4277–4283",
	collection = "nucleic acid intercalation",
	doi = "10.1021/bi00231a025",
	shorttitle = "Interactions of anilinoacridines with nucleic acids",
	year = 1991
}

@Article{1992-Jones,
	Author = "S. K. Jones",
	Title = "{Ultraviolet radiation (UVR) induces cell-surface Ro/SSA antigen expression by human keratinocytes in vitro: a possible mechanism for the UVR induction of cutaneous lupus lesions}",
	Journal = "Br. J. Dermatol.",
	Volume = "126",
	Number = "6",
	Pages = "546–553",
	collection = "cells",
	year = 1992
}

@Article{1992-Lai-Herr,
	Author = "Jiann-Shiun Lai and Winship Herr",
	Title = "{Ethidium-bromide provides a simple tool for identifying genuine {DNA}-independent protein associations}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "89",
	Number = "15",
	Pages = "6958–6962",
	cited = "262 (2005-04-13)",
	collection = "nucleic acid intercalation",
	doi = "10.1073/pnas.89.15.6958",
	year = 1992
}

@Article{1992-Rappe-CCGS,
	Author = "A. K. Rappe and C. J. Casewit and K. S. Colwell and William {A. III} Goddard and W. M. Skiff",
	Title = "{UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "114",
	Pages = "10024–10035",
	collection = "cheminformatics",
	doi = "10.1021/ja00051a040",
	year = 1992
}

@Article{1992-Sokalski-SRO,
	Author = "W. Andrzej Sokalski and M. Shibata and Rein Rein and Rick L. Ornstein",
	Title = "{Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties}",
	Journal = "J. Comp. Chem.",
	Volume = "13",
	Number = "7",
	Pages = "883–887",
	collection = "molecular electrostatics",
	doi = "10.1002/jcc.540130713",
	year = 1992
}

@Article{1993-Bader-Keith,
	Author = "Richard F. W. Bader and Todd A. Keith",
	Title = "{Properties of atoms in molecules: Magnetic susceptibilities}",
	Journal = "J. Chem. Phys.",
	Volume = "99",
	Number = "5",
	Pages = "3683–3693",
	collection = "molecular fragmentation",
	doi = "10.1063/1.466166",
	shorttitle = "Properties of atoms in molecules",
	year = 1993
}

@Article{1993-Bayly-CCK,
	Author = "Christopher I. Bayly and Piotr Cieplak and Wendy D. Cornell and Peter A. Kollman",
	Title = "{A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model}",
	Journal = "J. Phys. Chem.",
	Volume = "97",
	Pages = "10269–10280",
	collection = "molecular electrostatics",
	year = 1993
}

@Article{1993-Ben-Chetrit,
	Author = "Eldad Ben-Chetrit",
	Title = "{The molecular basis of the SSA/Ro antigens and the clinical significance of their autoantibodies}",
	Journal = "Br. J. Rheumatol.",
	Volume = "32",
	Pages = "396–402",
	collection = "cells",
	year = 1993
}

@Article{1993-Chaires-PGB,
	Author = "Jonathan B. Chaires and Waldemar Priebe and David E. Graves and T. G. Burke",
	Title = "{Dissection of the free energy of anthracycline antibiotic binding to {DNA:} electrostatic contributions}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "115",
	Number = "13",
	Pages = "5360–5364",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja00066a002",
	shorttitle = "Dissection of the free energy of anthracycline antibiotic binding to {DNA}",
	year = 1993
}

@Article{1993-Cozzi-CAS,
	Author = "Franco Cozzi and Mauro Cinquini and Rita Annuziata and Jay S. Siegel",
	Title = "{Dominance of polar/pi over charge-transfer effects in stacked phenyl interactions}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "115",
	Pages = "5330–5331",
	collection = "stacking",
	doi = "10.1021/ja00065a069",
	year = 1993
}

@Article{1993-Dykstra,
	Author = "Clifford E. Dykstra",
	Title = "{Electrostatic interaction potentials in molecular force fields}",
	Journal = "Chem. Rev.",
	Volume = "93",
	Pages = "2339–2353",
	collection = "molecular electrostatics",
	doi = "10.1021/cr00023a001",
	year = 1993
}

@Article{1993-Fraaije,
	Author = "Johannes G. E. M. Fraaije",
	Title = "{Dynamic density functional theory for microphase separation kinetics of block copolymer melts}",
	Journal = "J. Chem. Phys.",
	Volume = "99",
	Number = "11",
	Pages = "9202–9212",
	collection = "block copolymers",
	doi = "10.1063/1.465536",
	keywords = "block copolymers; microdomains",
	methods = "DDFT",
	year = 1993
}

@Article{1993-Gutowski-RL,
	Author = "Maciej Gutowski and {Jeanne G. C. M. van} {Duijneveldt-van de Rijdt} and {Joop H. van} {Lenthe}",
	Title = "{Accuracy of the Boys and Bernardi function counterpoise method}",
	Journal = "J. Chem. Phys.",
	Volume = "98",
	Number = "6",
	Pages = "4728–4727",
	collection = "basis set superposition",
	doi = "10.1063/1.465106",
	year = 1993
}

@Article{1993-Kojima-UKOFKK,
	Author = "Y. Kojima and A. Usuki and M. Kawasumi and A. Okada and Y. Fukushima and T. Kurauchi and O. Kamigaito",
	Title = "{Michanical properties of nylon 6-clay hybrid}",
	Journal = "J. Mater. Res.",
	Volume = "8",
	Number = "5",
	Pages = "1185–1189",
	Note = "First clay-enforced nylon materials.",
	collection = "polymer nanocomposites",
	doi = "10.1557/JMR.1993.1185",
	keywords = "mechanical properties; polymer nanocomposites",
	rating = "3",
	year = 1993
}

@Article{1993-Koster-KJ,
	Author = "Andreas M. Koster and Christian Kolle and Karl Jug",
	Title = "{Approximation of molecular electrostatic potentials}",
	Journal = "J. Chem. Phys.",
	Volume = "99",
	Number = "2",
	Pages = "1224–1229",
	collection = "molecular electrostatics",
	doi = "10.1063/1.465366",
	year = 1993
}

@Article{1993-Liang-ESH,
	Author = "Congxin Liang and Carl S. Ewig and Terry R. Stouch and Arnold T. Hagler",
	Title = "{Ab initio studies of lipid model species. 1. Dimethyl phosphate and methyl propyl phosphate anions}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "115",
	Pages = "1537–1545",
	collection = "lipids",
	doi = "10.1021/ja00057a046",
	keywords = "lipids",
	year = 1993
}

@Article{1993-Meyer-Almes-Porschke,
	Author = "Franz Josef Meyer-Almes and Dietmar Porschke",
	Title = "{Mechanism of intercalation into the DNA double helix by ethidium}",
	Journal = "Biochemistry",
	Volume = "32",
	Pages = "4246–4253",
	collection = "nucleic acid intercalation",
	doi = "10.1021/bi00067a012",
	year = 1993
}

@Article{1993-Pal-Pal,
	Author = "Nikhil R. Pal and Sankar K. Pal",
	Title = "{A review on image segmentation techniques}",
	Journal = "Pattern Recognition",
	Volume = "26",
	Number = "9",
	Pages = "1277–1294",
	collection = "informatics",
	doi = "10.1016/0031-3203(93)90135-J",
	keywords = "image analysis",
	year = 1993
}

@Article{1993-Schmidt-BBEGJKMNSWDM,
	Author = "Michael W. Schmidt and Kim K. Baldridge and Jerry A. Boatz and Steven T. Elbert and Mark S. Gordon and Jan H. Jensen and Shiro Koseki and Nikita Matsunaga and Kiet A. Nguyen and Shujun J. Su and Theresa L. Windus and Michel Dupuis and John A. Montgomery",
	Title = "{General atomic and molecular electronic-structure system}",
	Journal = "J. Comp. Chem.",
	Volume = "14",
	Number = "11",
	Pages = "1347–1363",
	cited = "4365 (2005-05-05)",
	collection = "cheminformatics",
	year = 1993
}

@Article{1993-Usuki-KKOFKK,
	Author = "A. Usuki and Y. Kojima and M. Kawasumi and A. Okada and Y. Fukushima and T. Kurauchi and O. Kamigaito",
	Title = "{Synthesis of nylon 6-clay hybrid}",
	Journal = "J. Mater. Res.",
	Volume = "8",
	Number = "5",
	Pages = "1179–1184",
	Note = "First clay-enforced nylon materials.",
	collection = "polymer nanocomposites",
	doi = "10.1557/JMR.1993.1179",
	keywords = "block copolymers; mechanical properties",
	rating = "2",
	year = 1993
}

@Article{1994-Amundson-HQHS,
	Author = "Karl Amundson and Eugene Helfand and Xina Quan and Steven D. Hudson and Steven D. Smith",
	Title = "{Alignment of lamellar block copolymer microstructure in an electric field. 2. Mechanisms of alignment}",
	Journal = "Macromolecules",
	Volume = "27",
	Pages = "6559–6570",
	collection = "block copolymers",
	keywords = "alignment; block copolymers; electric fields",
	year = 1994
}

@Article{1994-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Principle of stationary action and the definition of a proper open system}",
	Journal = "Phys. Rev. B",
	Volume = "49",
	Number = "19",
	Pages = "13348",
	collection = "quantum chemistry",
	doi = "10.1103/PhysRevB.49.13348",
	year = 1994
}

@Article{1994-Bates-Fredrickson,
	Author = "Frank S. Bates and Glenn H. Fredrickson",
	Title = "{Conformational asymmetry and polymer-polymer thermodynamics}",
	Journal = "Macromolecules",
	Volume = "27",
	Pages = "1065–1067",
	collection = "polymers",
	doi = "10.1021/ma00082a030",
	year = 1994
}

@Article{1994-Casciola-Rosen-AR,
	Author = "Livia A. Casciola-Rosen and Grant Anhalt and Antony Rosen",
	Title = "{Autoantigens targeted in systemic lupus erythematosus are clustered in two populations of surface structures on apoptotic keratinocytes}",
	Journal = "J. Exp. Med.",
	Volume = "179",
	Number = "4",
	Pages = "1317–1330",
	collection = "cells",
	year = 1994
}

@Article{1994-Chalasinski-Szczesniak,
	Author = "Grzegorz Chałasiński and Małgorzata M. Szczęśniak",
	Title = "{Origins of structure and energetics of van der Waals clusters from ab initio calculations}",
	Journal = "Chem. Rev.",
	Volume = "94",
	Pages = "1723–1765",
	collection = "molecular interactions",
	doi = "10.1021/cr00031a001",
	year = 1994
}

@Article{1994-Duijneveldt-RL,
	Author = "{Frans B. van} {Duijneveldt} and {Jeanne G. C. M. van} {Duijneveldt-van de Rijdt} and {Joop H. van} {Lenthe}",
	Title = "{State of the Art in Counterpoise Theory}",
	Journal = "Chem. Rev.",
	Volume = "94",
	Number = "7",
	Pages = "1873–1885",
	collection = "basis set superposition",
	doi = "10.1021/cr00031a007",
	year = 1994
}

@Article{1994-Elrod-Saykally,
	Author = "Matthew J. Elrod and Richard J. Saykally",
	Title = "{Many-body effects in intermolecular forces}",
	Journal = "Chem. Rev.",
	Volume = "94",
	Pages = "1975–1997",
	collection = "molecular interactions",
	doi = "10.1021/cr00031a010",
	year = 1994
}

@Article{1994-Fredrickson-LB,
	Author = "Glenn H. Fredrickson and Andrea J. Liu and Frank S. Bates",
	Title = "{Entropic corrections to the Flory–Huggins theory of polymer blends: architectural and conformational effects}",
	Journal = "Macromolecules",
	Volume = "27",
	Pages = "2503–2511",
	collection = "polymers",
	doi = "10.1021/ma00087a019",
	year = 1994
}

@Article{1994-Glendening-Streitwieser,
	Author = "Eric D. Glendening and Andrew Streitwieser",
	Title = "{Natural energy decomposition analysis: An energy partitioning procedure for molecular interactions with application to weak hydrogen bonding, strong ionic, and moderate donor–acceptor interactions}",
	Journal = "J. Chem. Phys.",
	Volume = "100",
	Number = "4",
	Pages = "2900–2909",
	collection = "molecular interactions",
	doi = "10.1063/1.466432",
	shorttitle = "Natural energy decomposition analysis",
	year = 1994
}

@Article{1994-Gurovich,
	Author = "Eugene Gurovich",
	Title = "{Copolymers under a monomer orienting field}",
	Journal = "Macromolecules",
	Volume = "27",
	Pages = "7063–7066",
	collection = "block copolymers",
	doi = "10.1021/ma00102a009",
	keywords = "block copolymers; electric fields",
	year = 1994
}

@Article{1994-Gurovich-1,
	Author = "Eugene Gurovich",
	Title = "{On microphase separation of block copolymers in an electric field: four universal classes}",
	Journal = "Macromolecules",
	Volume = "27",
	Pages = "7339–7362",
	collection = "block copolymers",
	doi = "10.1021/ma00103a015",
	year = 1994
}

@Article{1994-Jeziorski-MS,
	Author = "Bogumił Jeziorski and Robert Moszyński and Krzysztof Szalewicz",
	Title = "{Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der {W}aals Complexes}",
	Journal = "Chem. Rev.",
	Volume = "94",
	Pages = "1887–1930",
	collection = "molecular interactions",
	doi = "10.1021/cr00031a008",
	year = 1994
}

@Article{1994-Kawashima-ZLS,
	Author = "T. Kawashima and E. G. Zappi and T.-S. Lieu and R. D. Sontheimer",
	Title = "{Impact of ultraviolet radiation on the cellular expression of Ro/SS-A-autoantigenic polypeptides}",
	Journal = "Dermatology",
	Volume = "189 suppl 1",
	Pages = "6–10",
	collection = "cells",
	year = 1994
}

@Article{1994-Kelekar-SK,
	Author = "Ameeta Kelekar and Michael R. Saitta and Jack D. Keene",
	Title = "{Molecular composition of Ro small ribonucleoprotein complexes in human cells}",
	Journal = "J. Clin. Invest.",
	Volume = "93",
	Pages = "1637–1644",
	collection = "cells",
	year = 1994
}

@Article{1994-Klafter-Zumofen,
	Author = "J. Klafter and G. Zumofen",
	Title = "{Probability distributions for continuous-time random walks with long tails}",
	Journal = "J. Phys. Chem.",
	Volume = "98",
	Pages = "7366–7370",
	cited = "43 (2013-04-29)",
	collection = "statistics",
	year = 1994
}

@Article{1994-Krugh,
	Author = "Thomas R. Krugh",
	Title = "{Drug-{DNA} interactions}",
	Journal = "Curr. Op. Struct. Biol.",
	Volume = "4",
	Number = "3",
	Pages = "351 – 364",
	collection = "nucleic acid drugs",
	doi = "10.1016/S0959-440X(94)90103-1",
	year = 1994
}

@Article{1994-Lambooy-RKMGS,
	Author = "P. Lambooy and Thomas P. Russell and G. J. Kellogg and Anne M. Mayes and P. D. Gallagher and S. K. Satija",
	Title = "{Observed frustration in confined block copolymers}",
	Journal = "Phys. Rev. Lett.",
	Volume = "72",
	Number = "18",
	Pages = "2899–2902",
	collection = "block copolymers",
	doi = "10.1103/PhysRevLett.72.2899",
	keywords = "block copolymers; nanoconfinement; thin films",
	rating = "2",
	year = 1994
}

@Article{1994-Laradji-GZ,
	Author = "Mohamed Laradji and Hong Guo and Martin J. Zuckermann",
	Title = "{Off-lattice Monte Carlo simulation of polymer brushes in good solvents}",
	Journal = "Phys. Rev. E",
	Volume = "49",
	Number = "4",
	Pages = "3199–3206",
	collection = "polymer brushes",
	doi = "10.1103/PhysRevE.49.3199",
	keywords = "polymer brushes",
	methods = "MC",
	year = 1994
}

@Article{1994-Latajka-Bouteiller,
	Author = "Zdzisław Latajka and Yves Bouteiller",
	Title = "{Application of density functional methods for the study of hydrogen-bonded systems: the hydrogen fluoride dimer}",
	Journal = "J. Chem. Phys.",
	Volume = "101",
	Number = "11",
	Pages = "9793–9799",
	collection = "hydrogen bonding",
	doi = "10.1063/1.467944",
	keywords = "hydrogen bonding",
	year = 1994
}

@Article{1994-Liang-ESH,
	Author = "Congxin Liang and Carl S. Ewig and Terry R. Stouch and Arnold T. Hagler",
	Title = "{Ab initio studies of lipid model species. 2. Conformational analysis of inositols}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "116",
	Pages = "3904–3911",
	collection = "lipids",
	doi = "10.1021/ja00088a029",
	keywords = "lipids",
	year = 1994
}

@Article{1994-Matsen-Schick,
	Author = "Mark W. Matsen and M. Schick",
	Title = "{Stable and unstable phases of a diblock copolymer melt}",
	Journal = "Phys. Rev. Lett.",
	Volume = "72",
	Number = "16",
	Pages = "2660–2669",
	collection = "block copolymers",
	doi = "10.1103/PhysRevLett.72.2660",
	keywords = "block copolymers",
	year = 1994
}

@Article{1994-Meister-Schwarz,
	Author = "J. Meister and W. H. E. Schwarz",
	Title = "{Principal components of ionicity}",
	Journal = "J. Phys. Chem.",
	Volume = "98",
	Pages = "8245–8252",
	Note = "One principal component for ionicity arises in an analysis of over 20 different deifnitions of partial charge, presumably demonstrating atomic charges do reflect an underlying physical observable.",
	collection = "molecular electrostatics",
	doi = "10.1021/j100084a048",
	rating = "2",
	read = "2015-05-05",
	year = 1994
}

@Article{1994-Moy-FG,
	Author = "Vincent T. Moy and Ernst-Ludwig Florin and Hermann E. Gaub",
	Title = "{Intermolecular forces and energies between ligands and receptors}",
	Journal = "Science",
	Volume = "266",
	Pages = "257–259",
	Note = "Page 257: In experiments where the interaction was limited to a few molecules, the force required to rupture contact between ligand and receptor-functionalized surfaces ocurred in integer multiples. (...) the process must be adiabatic (...) Dissipative and entropy driven processes occur beyond the rupture point and are thus irrelevant to the unbinding force, although they may dominate the free energy of the system. Page 258: (...) our model predicts that the equilibrium constant of the complex, but not its unbinding force, will depend on the conditions of the buffer. (...) These differences in the characteristics of the pair potentials are reflected in the nature of the molecular recognition and the functions of the two systems.",
	collection = "molecular interactions",
	doi = "10.1126/science.7939660",
	rating = 3,
	read = "2013-10-08",
	year = 1994
}

@Article{1994-Neusser-Krause,
	Author = "H. J. Neusser and H. Krause",
	Title = "{Binding energy and structure of van der Waals complexes of benzene}",
	Journal = "Chem. Rev.",
	Volume = "94",
	Pages = "1829–1843",
	collection = "molecular interactions",
	doi = "10.1021/cr00031a005",
	year = 1994
}

@Article{1994-Newcomb-Gellman,
	Author = "Lisa F. Newcomb and Samuel H. Gellman",
	Title = "{Aromatic stacking interactions in aqueous solution - evidence that neither classical hydrophobic effects nor dispersion forces are important}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "116",
	Number = "11",
	Pages = "4993–4994",
	cited = "125 (2005-04-27)",
	collection = "stacking",
	doi = "10.1021/ja00090a057",
	year = 1994
}

@Article{1994-Peek-VSP,
	Author = "R. Peek and W. J. {van Venrooij} and F. Simons and G. Pruijn",
	Title = "{The SS-A/SS-B autoantigenic complex: localization and assembly}",
	Journal = "Clin. Exp. Rheumatol.",
	Volume = "12 suppl 11",
	Pages = "S15–S18",
	collection = "cells",
	year = 1994
}

@Article{1994-Strasburger-Sokalski,
	Author = "Krzysztof Strasburger and W. Andrzej Sokalski",
	Title = "{Intramolecular electrostatic interactions studied by cumulative atomic multipole moment expansion with improved convergence}",
	Journal = "Chem. Phys. Lett.",
	Volume = "221",
	Number = "1-2",
	Pages = "129–135",
	cited = "7 (2005-05-05)",
	collection = "molecular electrostatics",
	doi = "10.1016/0009-2614(94)87028-4",
	year = 1994
}

@Article{1995-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Chemistry and the near-sighted nature of the one-electron density matrix}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "56",
	Number = "4",
	Pages = "409–419",
	collection = "quantum chemistry",
	doi = "10.1002/qua.560560427",
	year = 1995
}

@Article{1995-Challacombe-SA,
	Author = "Matt Challacombe and Eric Schwegler and Jan Almlöf",
	Title = "{Recurrence relations for calculation of the cartesian multipole tensor}",
	Journal = "Chem. Phys. Lett.",
	Volume = "241",
	Number = "1-2",
	Pages = "67–72",
	cited = "11 (2005-05-20)",
	collection = "molecular electrostatics",
	doi = "10.1016/0009-2614(95)00597-W",
	keywords = "algorithms",
	rating = "2",
	year = 1995
}

@Article{1995-Cybulski-BCS,
	Author = "Sławomir M. Cybulski and Rudolf Burcl and Grzegorz Chałasiński and Małgorzata M. Szczęśniak",
	Title = "{Partitioning of interaction energy in van der Waals complexes involving excited state species}",
	Journal = "J. Chem. Phys.",
	Volume = "103",
	Pages = "10116",
	collection = "molecular interactions",
	doi = "10.1063/1.469913",
	year = 1995
}

@Article{1995-Dapprich-Frenking,
	Author = "Stefan Dapprich and Gernot Frenking",
	Title = "{Investigation of donor-acceptor interactions: a charge decomposition analysis using fragment molecular orbitals}",
	Journal = "J. Phys. Chem.",
	Volume = "99",
	Pages = "9352–9362",
	collection = "molecular fragmentation",
	doi = "10.1021/j100023a009",
	year = 1995
}

@Article{1995-Freeman-Wimmer,
	Author = "Arthur J. Freeman and Erich Wimmer",
	Title = "{Density functional theory as a major tool in computational materials science}",
	Journal = "Annu. Rev. Mater. Sci.",
	Volume = "25",
	Pages = "7–36",
	collection = "quantum chemistry",
	year = 1995
}

@Article{1995-Gurovich,
	Author = "Eugene Gurovich",
	Title = "{Polymer solutions under electric fields: ellipsoidal correlation holes}",
	Journal = "Macromolecules",
	Volume = "28",
	Pages = "6078–6083",
	collection = "block copolymers",
	doi = "10.1021/ma00122a012",
	year = 1995
}

@Article{1995-Gurovich-1,
	Author = "Eugene Gurovich",
	Title = "{Why does an electric field align structures in copolymers?}",
	Journal = "Phys. Rev. Lett.",
	Volume = "74",
	Number = "3",
	Pages = "482–485",
	collection = "block copolymers",
	doi = "10.1103/PhysRevLett.74.482",
	year = 1995
}

@Article{1995-Keech-GM,
	Author = "Catherine L. Keech and Tom P. Gordon and James McCluskey",
	Title = "{Cytoplasmic accumulation of the 52kDa Ro/SS-A nuclear autoantigen in transfected cell lines}",
	Journal = "J. Autoimmunity",
	Volume = "8",
	Pages = "699–712",
	collection = "cells",
	year = 1995
}

@Article{1995-Koch-PS,
	Author = "Uwe Koch and Paul L. A. Popelier and Anthony J. Stone",
	Title = "{Conformational dependence of atomic multipole moments}",
	Journal = "Chem. Phys. Lett.",
	Volume = "238",
	Number = "4-6",
	Pages = "253–260",
	collection = "molecular electrostatics",
	doi = "10.1016/0009-2614(95)00389-L",
	year = 1995
}

@Article{1995-Krausch,
	Author = "Georg Krausch",
	Title = "{Surface induced self assembly in thin polymer films}",
	Journal = "Materials Science and Engineering: R: Reports",
	Volume = "1",
	Pages = "1–94",
	collection = "polymers",
	doi = "10.1016/0927-796X(94)00173-1",
	keywords = "block copolymers; polymer blends; thin films",
	type = "Review",
	year = 1995
}

@Article{1995-Matteoli-Mansoori,
	Author = "Enrico Matteoli and G. Ali Mansoori",
	Title = "{A simple expression for radial distribution functions of pure fluids and mixtures}",
	Journal = "J. Chem. Phys.",
	Volume = "103",
	Number = "11",
	Pages = "4672–4677",
	Note = "Provides a simple two-part expression for the RDF of hard sphere liquids.",
	collection = "statistical mechanics",
	doi = "10.1063/1.470654",
	keywords = "liquid state; radial distribution function",
	rating = "2",
	read = "2012-04-27",
	year = 1995
}

@Article{1995-Misra-Honig,
	Author = "Vinod K. Misra and Barry Honig",
	Title = "{On the magnitude of the electrostatic contribution to {ligand-DNA} interactions}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "92",
	Number = "10",
	Pages = "4691–4695",
	collection = "nucleic acid intercalation",
	doi = "10.1073/pnas.92.10.4691",
	year = 1995
}

@Article{1995-Naray-Szabo-Ferenczy,
	Author = "Gabor Naray-Szabo and Gyorgy G. Ferenczy",
	Title = "{Molecular electrostatics}",
	Journal = "Chem. Rev.",
	Volume = "95",
	Pages = "829–847",
	collection = "molecular electrostatics",
	doi = "10.1021/cr00036a002",
	year = 1995
}

@Article{1995-Onuki-Fukuda,
	Author = "Akira Onuki and Jun-ichi Fukuda",
	Title = "{Electric field effects and form birefringence in diblock copolymers}",
	Journal = "Macromolecules",
	Volume = "28",
	Pages = "8788–8795",
	collection = "block copolymers",
	doi = "10.1021/ma00130a011",
	keywords = "block copolymers; electric fields",
	year = 1995
}

@Article{1995-Polanyi-Zewail,
	Author = "John C. Polanyi and Ahmed H. Zewail",
	Title = "{Direct observation of the transition state}",
	Journal = "Acc. Chem. Res.",
	Volume = "28",
	Pages = "119–132",
	collection = "molecular reactions",
	doi = "10.1021/ar00051a005",
	year = 1995
}

@Article{1995-Soga-GZ,
	Author = "K. Geoffrey Soga and Hong Guo and Martin J. Zuckermann",
	Title = "{Polymer brushes in a poor solvent}",
	Journal = "Europhys. Lett.",
	Volume = "29",
	Number = "7",
	Pages = "531–536",
	collection = "polymer brushes",
	doi = "10.1209/0295-5075",
	year = 1995
}

@Article{1995-Stanton-DM,
	Author = "Robert V. Stanton and Steven L. Dixon and Kenneth M. Jr. Merz",
	Title = "{General formulation for a quantum free energy perturbation study}",
	Journal = "J. Phys. Chem.",
	Volume = "99",
	Pages = "10701–10704",
	collection = "statistical mechanics",
	doi = "10.1021/j100027a004",
	year = 1995
}

@Article{1995-Williams-MSJ,
	Author = "Hayes L. Williams and Eric M. Mas and Krzysztof Szalewicz and Bogumił Jeziorski",
	Title = "{On the effectiveness of monomer-centered, dimer-centered, and bond-centered basis functions in calculations of intermolecular interaction energies}",
	Journal = "J. Chem. Phys.",
	Volume = "103",
	Number = "17",
	Pages = "7374–7391",
	cited = "59 (2005-05-29)",
	collection = "basis set dependence",
	doi = "10.1063/1.470309",
	year = 1995
}

@Article{1996-Archontis-Karplus,
	Author = "G. Archontis and Martin Karplus",
	Title = "{Cumulant expansion of the free energy: application to free energy derivatives and component analysis}",
	Journal = "J. Chem. Phys.",
	Volume = "105",
	Number = "24",
	Pages = "11246–11260",
	collection = "statistical mechanics",
	doi = "10.1063/1.472921",
	year = 1996
}

@Article{1996-Bakalarski-GKLL,
	Author = "Grzegorz Bakalarski and Paweł Grochowski and Józef S. Kwiatkowski and Bogdan Lesyng and Jerzy Leszczyński",
	Title = "{Molecular and electrostatic properties of the N-methylated nucleic acid bases by density functional theory}",
	Journal = "Chem. Phys.",
	Volume = "204",
	Pages = "301–311",
	collection = "nucleic acid bases",
	doi = "10.1016/0301-0104(95)00413-0",
	year = 1996
}

@Article{1996-Bloomfield,
	Author = "Victor A. Bloomfield",
	Title = "{DNA condensation}",
	Journal = "Curr. Op. Struct. Biol",
	Volume = "6",
	Pages = "334–341",
	collection = "nucleic acids",
	doi = "10.1016/S0959-440X(96)80052-2",
	issue = "3",
	read = "2012-11-10",
	year = 1996
}

@Article{1996-Bone-Bader,
	Author = "Richard G. A. Bone and Richard F. W. Bader",
	Title = "{Identifying and Analyzing Intermolecular Bonding Interactions in van der Waals Molecules†}",
	Journal = "J. Phys. Chem.",
	Volume = "100",
	Number = "26",
	Pages = "10892–10911",
	collection = "molecular interactions",
	doi = "10.1021/jp953512m",
	year = 1996
}

@Article{1996-Bukowski-JS,
	Author = "Robert Bukowski and Bogumił Jeziorski and Krzysztof Szalewicz",
	Title = "{Basis set superposition problem in interaction energy calcualtions with explicitly correlated bases: saturated second- and third-order energies for He2}",
	Journal = "J. Chem. Phys.",
	Volume = "104",
	Number = "9",
	Pages = "3306–3319",
	collection = "molecular interactions",
	doi = "10.1063/1.471093",
	year = 1996
}

@Article{1996-Chaires-SSFPP,
	Author = "Jonathan B. Chaires and S. Satyanarayana and D. Suh and Izabela Fokt and T. Przewloka and Waldemar Priebe",
	Title = "{Parsing the free energy of anthracycline antibiotic binding to {DNA}}",
	Journal = "Biochemistry",
	Volume = "35",
	Number = "7",
	Pages = "2047–2053",
	collection = "nucleic acid intercalation",
	doi = "10.1021/bi952812r",
	year = 1996
}

@Article{1996-Chebrou-BAG,
	Author = "Herve Chebrou and Frederic Bigey and Alain Arnaud and Pierre Galzy",
	Title = "{Study of the amidase signature group}",
	Journal = "Biochim. Biophys. Acta",
	Volume = "1298",
	Pages = "285–293",
	collection = "enzymes",
	doi = "10.1016/S0167-4838(96)00145-8",
	year = 1996
}

@Article{1996-Chen-Gordon,
	Author = "Wei Chen and Mark S. Gordon",
	Title = "{Energy Decomposition Analyses for {Many-Body} Interaction and Applications to Water Complexes}",
	Journal = "J. Phys. Chem.",
	Volume = "100",
	Number = "34",
	Pages = "14316–14328",
	collection = "molecular interactions",
	doi = "10.1021/jp960694r",
	keywords = "algorithms",
	year = 1996
}

@Article{1996-Cioslowski-Stefanov,
	Author = "Jerzy Cioslowski and Boris B. Stefanov",
	Title = "{Analytical derivatives of atomic zero-flux surfaces and properties of atoms in molecules with respect to external perturbations}",
	Journal = "J. Chem. Phys.",
	Volume = "105",
	Number = "19",
	Pages = "8741–8747",
	collection = "molecular fragmentation",
	doi = "10.1063/1.472653",
	year = 1996
}

@Article{1996-Cravatt-GMBLG,
	Author = "Benjamin F. Cravatt and Dan K. Giang and Stephen P. Mayfield and Dale L. Boger and Richard A. Lerner and Norton B. Gilula",
	Title = "{Molecular characterization of an enzyme that degrades neuromodulatory fatty-acid amides}",
	Journal = "Nature",
	Volume = "384",
	Pages = "83–87",
	collection = "enzymes",
	doi = "10.1038/384083a0",
	keywords = "hydrolysis",
	year = 1996
}

@Article{1996-Elcock-RR,
	Author = "Adrian H. Elcock and Alison Rodger and W. Graham Richards",
	Title = "{Theoretical studies of the intercalation of 9-hydroxyellipticine in {DNA}}",
	Journal = "Biopolymers",
	Volume = "39",
	Number = "3",
	Pages = "309–326",
	collection = "nucleic acid intercalation",
	doi = "10.1002/(SICI)1097-0282(199609)39:3",
	year = 1996
}

@Article{1996-Giannelis,
	Author = "Emmanuel P. Giannelis",
	Title = "{Polymer layered silicate nanocomposites}",
	Journal = "Adv. Mater.",
	Volume = "8",
	Number = "1",
	Pages = "29–35",
	collection = "polymer nanocomposites",
	doi = "10.1002/adma.19960080104",
	keywords = "polymer nanocomposites",
	year = 1996
}

@Article{1996-Grineva-Zhuraviev,
	Author = "Olga V. Grineva and Vladimir I. Zhuraviev",
	Title = "{Densities and dielectric properties of three butanediols and their solutiosn with 10 mol \% water}",
	Journal = "J. Chem. Eng. Data",
	Volume = "41",
	Pages = "604–607",
	cited = "18 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1021/je950313n",
	year = 1996
}

@Article{1996-Guckian-SRSPTK,
	Author = "Kevin M. Guckian and Barbara A. Schweitzer and Rex X.-F. Ren and Charles J. Sheils and Pamela L. Paris and Deborah C. Tahmassebi and Eric T. Kool",
	Title = "{Experimental measurement of aromatic stacking affinities in the context of duplex {DNA}}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "118",
	Number = "34",
	Pages = "8182–8183",
	cited = "129 (2005-05-23)",
	collection = "stacking",
	doi = "10.1021/ja961733f",
	keywrods = "stacking",
	year = 1996
}

@Article{1996-Humphrey-DS,
	Author = "William Humphrey and Andrew Dalke and Klaus Schulten",
	Title = "{{VMD} – {V}isual {M}olecular {D}ynamics}",
	Journal = "J. Mol. Graph.",
	Volume = 14,
	Pages = "33–38",
	collection = "cheminformatics",
	tbreference = "222",
	tbstatus = "Published.",
	techrep = "",
	url = "http://www.ks.uiuc.edu/Research/vmd",
	year = 1996
}

@Article{1996-Jensen,
	Author = "Frank Jensen",
	Title = "{The magnitude of intramolecular basis set superposition error}",
	Journal = "Chem. Phys. Lett.",
	Volume = "261",
	Pages = "633–636",
	collection = "basis set superposition",
	doi = "10.1016/0009-2614(96)01033-0",
	keywords = "basis set superposition error",
	year = 1996
}

@Article{1996-Karelson-LK,
	Author = "Mati Karelson and Victor S. Lobanov and Alan R. Katritzky",
	Title = "{Quantum-chemical descriptors in QSAR/QSPR studies}",
	Journal = "Chem. Rev.",
	Volume = "96",
	Pages = "1027–1043",
	collection = "quantum chemistry",
	doi = "10.1021/cr950202r",
	year = 1996
}

@Article{1996-Kellogg-WMLRGS,
	Author = "G. J. Kellogg and D. G. Walton and Anne M. Mayes and P. Lambooy and Thomas P. Russell and P. D. Gallagher and S. K. Satija",
	Title = "{Observed surface energy effects in confined diblock copolymers}",
	Journal = "Phys. Rev. Lett.",
	Volume = "76",
	Number = "14",
	Pages = "2503–2506",
	collection = "block copolymers",
	doi = "10.1103/PhysRevLett.76.2503",
	keywords = "block copolymers; thin films",
	rating = "3",
	year = 1996
}

@Article{1996-Klopper-QS,
	Author = "Wim Klopper and Martin Quack and Martin A. Suhm",
	Title = "{A new ab initio based six-dimensional semi-empirical pair interaction potential for HF}",
	Journal = "Chem. Phys. Lett.",
	Volume = "261",
	Pages = "35–44",
	collection = "hydrogen bonding",
	doi = "10.1016/0009-2614(96)00901-3",
	keywords = "hydrogen bonding; semi-empirical methods",
	methods = "MP2",
	systems = "HF dimer",
	year = 1996
}

@Article{1996-Klosgen-RKK,
	Author = "Beate Klosgen and Christoph Reichle and Stephan Kohlsmann and Klaus D. Kramer",
	Title = "{Dielectric spectroscopy as a sensor of membrane headgroup mobility and hydration}",
	Journal = "Biophys. J.",
	Volume = "71",
	Pages = "3251–3260",
	cited = "45 (2013-04-29)",
	collection = "lipid bilayers",
	doi = "10.1016/S0006-3495(96)79518-8",
	year = 1996
}

@Article{1996-Koch-Stone,
	Author = "Uwe Koch and Anthony J. Stone",
	Title = "{Conformational dependence of the molecular charge distribution and its influence on intermolecular interactions}",
	Journal = "J. Chem. Soc., Faraday Trans.",
	Volume = "92",
	Number = "10",
	Pages = "1701–1708",
	collection = "molecular electrostatics",
	doi = "10.1039/FT9969201701",
	keywords = "molecular structure",
	year = 1996
}

@Article{1996-Kohn-BP,
	Author = "W. Kohn and A. D. Becke and R. G. Parr",
	Title = "{Density functional theory of electronic structure}",
	Journal = "J. Phys. Chem.",
	Volume = "100",
	Pages = "12974–12980",
	collection = "quantum chemistry",
	doi = "10.1021/jp960669l",
	year = 1996
}

@Article{1996-Matsen-Bates,
	Author = "Mark W. Matsen and F. S. Bates",
	Title = "{Unifying weak- and strong-segregation block copolymer theories}",
	Journal = "Macromolecules",
	Volume = "29",
	Number = "4",
	Pages = "1091–1098",
	collection = "block copolymers",
	doi = "10.1021/ma951138i",
	keywords = "block copolymers",
	year = 1996
}

@Article{1996-Maurits-AEF,
	Author = "N. M. Maurits and P. Altevogt and O. A. Evers and J. G. E. M. Fraaije",
	Title = "{Simple numerical quadrature rules for Gaussian chain polymer density functional calcualtions in 3D and implementation on parallel platforms}",
	Journal = "Comp. Theor. Pol. Sci.",
	Volume = "6",
	Number = "1-2",
	Pages = "1–8",
	collection = "informatics",
	keywords = "quadrature",
	read = "2011-10-10",
	year = 1996
}

@Article{1996-Mecozzi-WD,
	Author = "Sandro Mecozzi and Anthony P. {West Jr.} and Dennis A. Dougherty",
	Title = "{Cation-π interactions in aromatics of biological and medicinal interest: electrostatic potential surfaces as a useful qualitative guide}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "93",
	Number = "20",
	Pages = "10566–10571",
	collection = "molecular electrostatics",
	doi = "10.1073/pnas.93.20.10566",
	shorttitle = "Cation-pi interactions in aromatics of biological and medicinal interest",
	year = 1996
}

@Article{1996-Mecozzi-WD-1,
	Author = "Sandro Mecozzi and Anthony P. {West Jr.} and Dennis A. Dougherty",
	Title = "{Cation−π Interactions in Simple Aromatics: Electrostatics Provide a Predictive Tool}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "118",
	Number = "9",
	Pages = "2307–2308",
	collection = "molecular electrostatics",
	doi = "10.1021/ja9539608",
	shorttitle = "Cation−π Interactions in Simple Aromatics",
	year = 1996
}

@Article{1996-Moszynski-HJ,
	Author = "Robert Moszyński and Tino G. A. Heijmen and Bogumił Jeziorski",
	Title = "{Symmetry-adapted perturbation theory for the calculation of Hartree-Fock interaction energies }",
	Journal = "Mol. Phys.",
	Volume = "88",
	Number = "3",
	Pages = "741–758",
	collection = "molecular interactions",
	doi = "10.1080/00268979609482451",
	year = 1996
}

@Article{1996-Oberholzer-OCB,
	Author = "Martin Oberholzer and Marc Östreicher and Heinz Christen and Marcel Brühlmann",
	Title = "{Methods in quantitative image analysis}",
	Journal = "Histochem. Cell. Biol.",
	Volume = "105",
	Pages = "333–355",
	collection = "informatics",
	keywords = "image analysis",
	year = 1996
}

@Article{1996-Popelier,
	Author = "Paul L. A. Popelier",
	Title = "{Integration of atoms in molecules: a critical examination}",
	Journal = "Mol. Phys.",
	Volume = "87",
	Number = "5",
	Pages = "1169–1187",
	collection = "cheminformatics",
	doi = "10.1080/00268979650027072",
	keywords = "multipole expansion",
	year = 1996
}

@Article{1996-Resat-Mezei,
	Author = "H. Resat and Mihaly Mezei",
	Title = "{Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate}",
	Journal = "Biophys. J.",
	Volume = "71",
	Number = "3",
	Pages = "1179–1190",
	collection = "nucleic acid intercalation",
	doi = "10.1016/S0006-3495(96)79322-0",
	year = 1996
}

@Article{1996-Simon-DD,
	Author = "Silvia Simon and Miquel Duran and Joseph J. Dannenberg",
	Title = "{How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?}",
	Journal = "J. Chem. Phys.",
	Volume = "105",
	Number = "24",
	Pages = "11024–11031",
	collection = "basis set superposition",
	doi = "10.1063/1.472902",
	year = 1996
}

@Article{1996-Soga-ZG,
	Author = "K. Geoffrey Soga and Martin J. Zuckermann and Hong Guo",
	Title = "{Binary polymer brush in a solvent}",
	Journal = "Macromolecules",
	Volume = "29",
	Pages = "1998–2005",
	collection = "polymer brushes",
	doi = "10.1021/ma951102q",
	keywrods = "polymer brushes",
	year = 1996
}

@Article{1996-Xantheas,
	Author = "Sotiris S. Xantheas",
	Title = "{On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy}",
	Journal = "J. Chem. Phys.",
	Volume = "104",
	Number = "21",
	Pages = "8821–8824",
	collection = "basis set superposition",
	doi = "10.1063/1.471605",
	year = 1996
}

@Article{1996-Yell-WYM,
	Author = "Jannifer A. Yell and Lixiang Wang and Hongliang Yin and Daniel P. Mccauliffe",
	Title = "{Disparate locations of the 52- and 60-kDa Ro/SS-A antigens in cultured human keratinocytes}",
	Journal = "J. Invest. Dermatol.",
	Volume = "107",
	Number = "4",
	Pages = "622–626",
	collection = "cells",
	year = 1996
}

@Article{1997-Babine-Bender,
	Author = "Robert E. Babine and Steven L. Bender",
	Title = "{Molecular recognition of protein-ligand complexes: applications to drug design}",
	Journal = "Chem. Rev.",
	Volume = "97",
	Pages = "1359–1472",
	collection = "enzymes",
	doi = "10.1021/cr960370z",
	keywords = "drug discovery",
	year = 1997
}

@Article{1997-Bader-Austen,
	Author = "Richard F. W. Bader and Maggie A. Austen",
	Title = "{Properties of atoms in molecules: Atoms under pressure}",
	Journal = "J. Chem. Phys.",
	Volume = "107",
	Number = "11",
	Pages = "4271–4285",
	collection = "molecular fragmentation",
	doi = "10.1063/1.474769",
	shorttitle = "Properties of atoms in molecules",
	year = 1997
}

@Article{1997-Baginski-FB,
	Author = "Maciej Bagiński and Federico Fogolari and James M. Briggs",
	Title = "{Electrostatic and non-electrostatic contributions to the binding free energies of anthracycline antibiotics to DNA}",
	Journal = "J. Mol. Biol.",
	Volume = "274",
	Pages = "253–267",
	collection = "nucleic acid intercalation",
	doi = "10.1006/jmbi.1997.1399",
	keywords = "nucleic acids; intercalation",
	year = 1997
}

@Article{1997-Beck-CG,
	Author = "Bernd Beck and Timothy Clark and Robert C. Glen",
	Title = "{VESPA: a new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods}",
	Journal = "J. Comp. Chem.",
	Volume = "18",
	Number = "6",
	Pages = "744–756",
	collection = "molecular electrostatics",
	year = 1997
}

@Article{1997-Beecroft-Ober,
	Author = "Laura L. Beecroft and Christopher K. Ober",
	Title = "{Nanocomposite materials for optical applications}",
	Journal = "Chem. Mater.",
	Volume = "9",
	Pages = "1302–1317",
	collection = "polymer nanocomposites",
	doi = "10.1021/cm960441a",
	keywords = "optical properties; polymer nanocomposites",
	type = "Review",
	year = 1997
}

@Article{1997-Bloomfield,
	Author = "Victor A. Bloomfield",
	Title = "{DNA condensation by multivalent cations}",
	Journal = "Biopolymers",
	Volume = "44",
	Pages = "269–282",
	collection = "nucleic acids",
	rating = "2",
	read = "2012-08-13",
	year = 1997
}

@Article{1997-Cioslowski-Liu,
	Author = "Jerzy Cioslowski and G. H. Liu",
	Title = "{Electrostatic interaction energies from a generalized {G}aussian quadrature}",
	Journal = "Chem. Phys. Lett.",
	Volume = "277",
	Number = "4",
	Pages = "299–305",
	cited = "4 (2005-05-22)",
	collection = "molecular electrostatics",
	doi = "10.1016/S0009-2614(97)00883-X",
	keywords = "quadrature",
	year = 1997
}

@Article{1997-Fraaije-VMPEHAG,
	Author = "Johannes G. E. M. Fraaije and {B. A. C. van} Vlimmeren and N. M. Maurits and M. Postma and O. A. Evers and C. Hoffman and P. Altevogt and G. Goldbeck-Wood",
	Title = "{The dynamic mean-field density functional method and its application to the mesoscopic dynamics of quenched block copolymer melts}",
	Journal = "J. Chem. Phys.",
	Volume = "106",
	Number = "10",
	Pages = "4260–4269",
	collection = "block copolymers",
	doi = "10.1063/1.473129",
	keywords = "block copolymers; microdomains",
	methods = "DDFT",
	year = 1997
}

@Article{1997-Gunning-Raab,
	Author = "M. J. Gunning and R. E. Raab",
	Title = "{Physical implications of the use of primitive and traceless electric quadrupole moments}",
	Journal = "Mol. Phys.",
	Volume = "91",
	Number = "4",
	Pages = "589",
	collection = "molecular electrostatics",
	doi = "10.1080/002689797171085",
	year = 1997
}

@Article{1997-Hunter-Lu,
	Author = "Christopher A. Hunter and Xian-Jun Lu",
	Title = "{D{NA} base-stacking interactions: a comparison of theoretical calculations with oligonucleotide {X}-ray crystal structures}",
	Journal = "J. Mol. Biol.",
	Volume = "265",
	Number = "5",
	Pages = "603–619",
	cited = "54 (2005-04-27)",
	collection = "stacking",
	doi = "10.1006/jmbi.1996.0755",
	year = 1997
}

@Article{1997-Kaatze,
	Author = "Udo Kaatze",
	Title = "{The dielectric properties of water in its different states of interaction}",
	Journal = "J. Solution Chem.",
	Volume = "26",
	Number = "11",
	Pages = "1049–1112",
	cited = "76 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1007/BF02768829",
	keywords = "water",
	year = 1997
}

@Article{1997-Korona-WBJS,
	Author = "Tatiana Korona and Hayes L. Williams and Robert Bukowski and Bogumił Jeziorski and Krzysztof Szalewicz",
	Title = "{Helium dimer potential from symmetry-adapted perturbation theory calculations using large {G}aussian geminal and orbital basis sets}",
	Journal = "J. Chem. Phys.",
	Volume = "106",
	Number = "12",
	Pages = "5109 – 5122",
	collection = "molecular interactions",
	doi = "10.1063/1.473556",
	size = "14 p.",
	year = 1997
}

@Article{1997-Ma-Dougherty,
	Author = "Jennifer C. Ma and Dennis A. Dougherty",
	Title = "{The Cation−π Interaction}",
	Journal = "Chem. Rev.",
	Volume = "97",
	Pages = "1303–1324",
	collection = "molecular interactions",
	doi = "10.1021/cr9603744",
	year = 1997
}

@Article{1997-Matsen,
	Author = "Mark W. Matsen",
	Title = "{Thin films of block copolymer}",
	Journal = "J. Chem. Phys.",
	Volume = "106",
	Pages = "7781–7791",
	collection = "block copolymers",
	doi = "10.1063/1.473778",
	keywords = "block copolymers; thin films",
	methods = "SCFT",
	rating = "3",
	read = "2011-11-24",
	year = 1997
}

@Article{1997-Maurits-Fraaije,
	Author = "N. M. Maurits and Johannes G. E. M. Fraaije",
	Title = "{Mesoscopic dynamics of copolymer melts: from density dynamics to external potential dynamics using nonlocal kinetic coupling}",
	Journal = "J. Chem. Phys.",
	Volume = "107",
	Number = "15",
	Pages = "5879–5889",
	collection = "block copolymers",
	doi = "10.1063/1.474313",
	keywords = "block copolymers; microdomains",
	methods = "DDFT",
	year = 1997
}

@Article{1997-McCauliffe,
	Author = "Daniel P. McCauliffe",
	Title = "{Cutaneous diseases in adults associated with Anti-Ro/SS-A autoantibody production}",
	Journal = "Lupus",
	Volume = "6",
	Pages = "158–166",
	collection = "cells",
	year = 1997
}

@Article{1997-McCauliffe-WSRS,
	Author = "Daniel P. McCauliffe and L. Wang and Minoru Satoh and W. H. Reeves and D. Small",
	Title = "{Recombinant 52 kDa Ro(SSA) ELISA detects autoantibodies in Sjögren's syndrome sera that go undetected by conventional serologic assays}",
	Journal = "J. Rheumatol.",
	Volume = "24",
	Pages = "860–866",
	collection = "cells",
	year = 1997
}

@Article{1997-Neidle,
	Author = "Stephen Neidle",
	Title = "{Crystallographic insights into {DNA} minor groove recognition by drugs}",
	Journal = "Biopolymers",
	Volume = "44",
	Number = "1",
	Pages = "105 – 121",
	collection = "nucleic acid drugs",
	year = 1997
}

@Article{1997-Rozas,
	Author = "Isabel Rozas",
	Title = "{Atomic charges derived from different methods: A comparative study applied to {SO$\_2$} heterocycles}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "62",
	Number = "5",
	Pages = "477–487",
	collection = "molecular fragmentation",
	doi = "10.1002/(SICI)1097-461X(1997)62:5",
	shorttitle = "Atomic charges derived from different methods",
	year = 1997
}

@Article{1997-Sanchez-Bajo-Cumbrera,
	Author = "F. Sanchez-Bajo and F. L. Cumbrera",
	Title = "{The use of the pseudo-Voigt function in the variance method of X-ray line-broadening analysis}",
	Journal = "J. Appl. Cryst.",
	Volume = "30",
	Pages = "427–430",
	collection = "crystallography",
	doi = "10.1107/S0021889896015464",
	rating = "2",
	read = "2012-09-20",
	year = 1997
}

@Article{1997-Sartorius-Schneider,
	Author = "Joachim Sartorius and Hans-Jörg Schneider",
	Title = "{Intercalation mechanisms with ds-{DNA}: binding modes and energy contributions with benzene, naphthalene, quinoline and indole derivatives including some antimalarials}",
	Journal = "J. Chem. Soc. Perkin Trans. 2",
	Number = "11",
	Pages = "2319–2327",
	collection = "nucleic acid intercalation",
	year = 1997
}

@Article{1997-Schutz-BWLK,
	Author = "Martin Schütz and Steve Brdarski and Per-Olof Widmark and Roland Lindh and Gunnar Karlström",
	Title = "{The water dimer interaction energy: {C}onvergence to the basis set limit at the correlated level}",
	Journal = "J. Chem. Phys.",
	Volume = "107",
	Number = "12",
	Pages = "4597 – 4605",
	collection = "basis set dependence",
	doi = "10.1063/1.474820",
	keywords = "water",
	methods = "MP2",
	systems = "water dimer",
	year = 1997
}

@Article{1997-Szwajkajzer-Carey,
	Author = "Danuta Szwajkajzer and Jannette Carey",
	Title = "{Molecular and biological constraints on ligand-binding affinity and specificity}",
	Journal = "Biopolymers",
	Volume = "44",
	Pages = "181–198",
	collection = "molecular interactions",
	doi = "10.1002/(SICI)1097-0282(1997)44:2",
	year = 1997
}

@Article{1997-Wang-PK,
	Author = "F. Wang and R. Pottel and U. Kaatze",
	Title = "{Dielectric properies of alkanediol/water mixtures}",
	Journal = "J. Phys. Chem. B",
	Volume = "101",
	Pages = "922–929",
	cited = "50 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1021/jp963422x",
	year = 1997
}

@Article{1998-Arthanari-BKB,
	Author = "Haribabu Arthanari and Swarna Basu and Thomas L. Kawano and Philip H. Bolton",
	Title = "{Fluorescent dyes specific for quadruplex {DNA}}",
	Journal = "Nucl. Acids Res.",
	Volume = "26",
	Number = "16",
	Pages = "3724–3728",
	collection = "nucleic acid drugs",
	doi = "10.1093/nar",
	year = 1998
}

@Article{1998-Bader,
	Author = "Richard F. W. Bader",
	Title = "{A Bond Path: A Universal Indicator of Bonded Interactions}",
	Journal = "J. Phys. Chem. A",
	Volume = "102",
	Number = "37",
	Pages = "7314–7323",
	collection = "molecular structure",
	doi = "10.1021/jp981794v",
	shorttitle = "A Bond Path",
	year = 1998
}

@Article{1998-Bader-Gatti,
	Author = "Richard F. W. Bader and Carlo Gatti",
	Title = "{A Green's function for the density}",
	Journal = "Chem. Phys. Lett.",
	Volume = "287",
	Number = "3-4",
	Pages = "233–238",
	collection = "quantum chemistry",
	doi = "10.1016/S0009-2614(97)01457-7",
	year = 1998
}

@Article{1998-Chaires,
	Author = "Jonathan B. Chaires",
	Title = "{Energetics of drug-{DNA} interactions}",
	Journal = "Biopolymers",
	Volume = "44",
	Number = "3",
	Pages = "201 – 215",
	collection = "nucleic acid drugs",
	doi = "10.1002/(SICI)1097-0282(1997)44:3",
	year = 1997
}

@Article{1998-Chaires-1,
	Author = "Jonathan B. Chaires",
	Title = "{Drug-{DNA} interactions}",
	Journal = "Curr. Op. Struct. Biol.",
	Volume = "8",
	Number = "3",
	Pages = "314 – 320",
	collection = "nucleic acid drugs",
	doi = "10.1016/S0959-440X(98)80064-X",
	year = 1998
}

@Article{1998-Chatterjee-Schweizer,
	Author = "Avik P. Chatterjee and Kenneth S. Schweizer",
	Title = "{Microscopic theory of polymer-mediated interactions between spherical particles}",
	Journal = "J. Chem. Phys.",
	Volume = "109",
	Number = "23",
	Pages = "10464–10476",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.477729",
	keywords = "nanospheres; polymer nanocomposites",
	year = 1998
}

@Article{1998-Ciebien-CSC,
	Author = "J. F. Ciebien and R. T. Clay and B. H. Sohn and R. E. Cohen",
	Title = "{Brief review of metal nanoclusters in block copolymer films}",
	Journal = "New J. Chem.",
	Volume = "22",
	Pages = "685–691",
	collection = "block copolymer nanocomposites",
	doi = "10.1039/A709233D",
	keywords = "block copolymers; polymer nanocomposites; thin films",
	type = "Review",
	year = 1998
}

@Article{1998-Dziekonski-SKA,
	Author = "Paweł Dziekoński and W. Andrzej Sokalski and Emil Kassab and Marcel Allavena",
	Title = "{Electrostatic nature of catalytic effects resulting from Si>Al substitutions in ZMS-5 zeolite}",
	Journal = "Chem. Phys. Lett.",
	Volume = "288",
	Pages = "538–544",
	collection = "molecular catalysis",
	doi = "10.1016/S0009-2614(98)00330-3",
	year = 1998
}

@Article{1998-Gellman,
	Author = "Samuel H. Gellman",
	Title = "{Foldamers: a manifesto}",
	Journal = "Acc. Chem. Res.",
	Volume = "31",
	Number = "4",
	Pages = "173–180",
	collection = "protein structure",
	doi = "10.1021/ar960298r",
	keywords = "protein folding",
	year = 1998
}

@Article{1998-Hodges-SL,
	Author = "Matthew P. Hodges and Anthony J. Stone and Enrique C. Lago",
	Title = "{Analytical potentials for HF dimer and larger HF clusters from ab initio calculations}",
	Journal = "J. Phys. Chem. A",
	Volume = "102",
	Pages = "2455–2465",
	collection = "hydrogen bonding",
	doi = "10.1021/jp972148j",
	year = 1998
}

@Article{1998-Ismail-SFLWR,
	Author = "Matthew A. Ismail and Karen J. Sanders and Gareth C. Fennell and Harriet C. Latham and Paul Wormell and Alison Rodger",
	Title = "{Spectroscopic studies of 9-hydroxyellipticine binding to {DNA}}",
	Journal = "Biopolymers",
	Volume = "46",
	Number = "3",
	Pages = "127–143",
	collection = "nucleic acid intercalation",
	doi = "10.1002/(SICI)1097-0282(199809)46:3",
	year = 1998
}

@Article{1998-Klopper-QS,
	Author = "Wim Klopper and Martin Quack and Martin A. Suhm",
	Title = "{HF dimer: Empirically refined analytical potential energy and dipole hypersurfaces from ab initio calcualtions}",
	Journal = "J. Chem. Phys.",
	Volume = "108",
	Number = "24",
	Pages = "10096–10115",
	collection = "hydrogen bonding",
	doi = "10.1063/1.476470",
	keywords = "hydrogen bonding",
	systems = "HF dimer",
	year = 1998
}

@Article{1998-Lauter-Pasyuk-LAGCHK,
	Author = "V. Lauter-Pasyuk and H. J. Lauter and D. Ausserre and Y. Gallot and V. Cabuil and B. Hamdoun and E. I. Kornilov",
	Title = "{Neutron reflectivity studies of composite nanoparticle–copolymer thin films}",
	Journal = "Physica B",
	Volume = "248",
	Pages = "243–245",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/S0921-4526(98)00241-5",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites; thin films",
	methods = "neutron diffraction",
	rating = "2",
	systems = "maghemite@PS-PBMA",
	year = 1998
}

@Article{1998-Lauter-Pasyuk-LAGCKH,
	Author = "V. Lauter-Pasyuk and H. J. Lauter and D. Ausserre and Y. Gallot and V. Cabuil and E. I. Kornilov and B. Hamdoun",
	Title = "{Effect of nanoparticle size on the internal structure of copolymer-nanoparticles composite thin films studied by neutron reflection}",
	Journal = "Physica B",
	Volume = "241-243",
	Pages = "1092–1094",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/S0921-4526(97)00877-6",
	keywords = "block copolymers; polymer nanocomposites; thin films",
	methods = "neutron diffraction",
	rating = "2",
	systems = "maghemite@PS-PBMA",
	year = 1998
}

@Article{1998-Lendvay-Mayer,
	Author = "G. Lendvay and Istvan Mayer",
	Title = "{Some difficulties in computing BSSE-corrected potential surfaces of chemical reactions}",
	Journal = "Chem. Phys. Lett.",
	Volume = "297",
	Pages = "365–373",
	collection = "basis set superposition",
	doi = "10.1016/S0009-2614(98)01191-9",
	year = 1998
}

@Article{1998-Mayer,
	Author = "Istvan Mayer",
	Title = "{The chemical Hamiltonian approach for treating the BSSE problem of intermolecular interactions}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "70",
	Pages = "41–63",
	collection = "basis set superposition",
	doi = "10.1002/(SICI)1097-461X(1998)70:1",
	year = 1998
}

@Article{1998-Mayer-Valiron,
	Author = "Istvan Mayer and P. Valiron",
	Title = "{Second order Møller–Plesset perturbation theory without basis set superposition error }",
	Journal = "J. Chem. Phys.",
	Volume = "109",
	Number = "9",
	Pages = "3360–3373",
	collection = "basis set superposition",
	doi = "10.1063/1.476931",
	year = 1998
}

@Article{1998-Pourmand-BRP,
	Author = "Nader Pourmand and Irina Blange and Nils Ringertz and Ingvar Pettersson",
	Title = "{Intracellular localisation of the Ro 52 kD auto-antigen in HeLa cells visualised with green fluorescent protein chimeras}",
	Journal = "Autoimmunity",
	Volume = "28",
	Pages = "225–233",
	collection = "cells",
	year = 1998
}

@Article{1998-Prusiner,
	Author = "Stanley B. Prusiner",
	Title = "{Prions}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "95",
	Number = "23",
	Pages = "13363–13383",
	collection = "proteins",
	doi = "10.1073/pnas.95.23.13363",
	year = 1998
}

@Article{1998-Rayon-Sordo,
	Author = "Victor M. Rayon and Jóse A. Sordo",
	Title = "{On the validity of the counterpoise correction for the basis set superposition error including the fragment relaxation terms }",
	Journal = "Theor. Chem. Acc.",
	Volume = "99",
	Pages = "68–70",
	collection = "basis set superposition",
	doi = "10.1007/s002140050305",
	keywords = "counterpoise correction",
	year = 1998
}

@Article{1998-Sakamoto-Hashimoto,
	Author = "Naoki Sakamoto and Takeji Hashimoto",
	Title = "{Ordering dynamics of a symmetric polysterene-block-polyisoprene. 2. Real-space analysis on the formation of lamellar microdomain}",
	Journal = "Macromolecules",
	Volume = "31",
	Pages = "3815–3823",
	collection = "block copolymers",
	keywords = "block copolymers; microdomains",
	year = 1998
}

@Article{1998-Sibilia,
	Author = "Jean Sibilia",
	Title = "{Ro(SS-A) and anti-Ro(SS-A): An update}",
	Journal = "Rev. Rhum. Engl. Ed.",
	Volume = "65",
	Number = "1",
	Pages = "45–47",
	Note = "I don't have access to this article and have never read it.",
	collection = "cells",
	year = 1998
}

@Article{1998-Szalewicz-Jeziorski,
	Author = "Krzysztof Szalewicz and Bogumił Jeziorski",
	Title = "{Comment on {“On} the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy” {[J.} Chem. Phys. [bold 104], 8821 (1996)]}",
	Journal = "J. Chem. Phys.",
	Volume = "109",
	Number = "3",
	Pages = "1198–1200",
	collection = "basis set superposition",
	doi = "10.1063/1.476667",
	year = 1998
}

@Article{1998-Truhlar,
	Author = "Donald G. Truhlar",
	Title = "{Basis-set extrapolation}",
	Journal = "Chem. Phys. Lett.",
	Volume = "294",
	Pages = "45–48",
	collection = "basis set dependence",
	doi = "10.1016/S0009-2614(98)00866-5",
	year = 1998
}

@Article{1999-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Can there be more than a single definition of an atom in a molecule?}",
	Journal = "Can. J. Chem.",
	Volume = "77",
	Number = "1",
	Pages = "86–93",
	collection = "molecular fragmentation",
	doi = "10.1139/cjc-77-1-86",
	year = 1999
}

@Article{1999-Becker-Stockhausen,
	Author = "U. Becker and M. Stockhausen",
	Title = "{A dielectric relaxation study of some mixtures of mono and dihydric alcohols}",
	Journal = "J. Mol. Liquids",
	Volume = "81",
	Pages = "89–100",
	cited = "22 (2013-04-29)",
	collection = "molecular sovlation",
	doi = "10.1016/S0167-7322(99)00058-6",
	year = 1999
}

@Article{1999-Bruice-Lightstone,
	Author = "Thomas C. Bruice and Felice C. Lightstone",
	Title = "{Ground state and transition state contributions to the rates of intramolecular and enzymatic reactions}",
	Journal = "Acc. Chem. Res.",
	Volume = "32",
	Pages = "127–136",
	collection = "enzymes",
	doi = "10.1021/ar960131y",
	year = 1999
}

@Article{1999-Buchner-BS,
	Author = "Richard Buchner and J. Barthel and J. Stauber",
	Title = "{The dielectric relaxation of water between 0°C and 35°C}",
	Journal = "Chem. Phys. Lett.",
	Volume = "306",
	Number = "1-2",
	Pages = "57–63",
	cited = "186 (2013-04-29)",
	collection = "molecular sovlation",
	doi = "10.1016/S0009-2614(99)00455-8",
	keywords = "water",
	year = 1999
}

@Article{1999-Buchner-HM,
	Author = "Richard Buchner and Glenn T. Hefter and Peter M. May",
	Title = "{Dielectric relaxation of aqueous NaCl solutions}",
	Journal = "J. Phys. Chem. A",
	Volume = "103",
	Number = "1",
	Pages = "1–9",
	cited = "158 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1021/jp982977k",
	year = 1999
}

@Article{1999-Ciatto-DNSV,
	Author = "Carlo Ciatto and Maria L. D'Amico and Giovanni Natile and Fernando Secco and Marcella Venturini",
	Title = "{Intercalation of Proflavine and a Platinum Derivative of Proflavine into Double-Helical Poly(A)}",
	Journal = "Biophys. J.",
	Volume = "77",
	Number = "5",
	Pages = "2717–2724",
	collection = "nucleic acid intercalation",
	doi = "10.1016/S0006-3495(99)77105-5",
	year = 1999
}

@Article{1999-Coppens-ACKNAP,
	Author = "Phillip Coppens and Yuriy Abramov and Michael Carducci and Boris Korjov and Irina Novozhilova and Cristobal Alhambra and Mark R. Pressprich",
	Title = "{Experimental charge densities and intermolecular interactions: electrostatic and topological analysis of DL-histidine}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "121",
	Pages = "2585–2593",
	collection = "protein amino acids",
	doi = "10.1021/ja983320f",
	systems = "histidine",
	year = 1999
}

@Article{1999-Davis-Teague,
	Author = "Andrew M. David and Simon J. Teague",
	Title = "{Hydrogen bonding, hydrophobic interactions, and failure of the rigid receptor hypothesis}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "38",
	Pages = "736–749",
	Note = "Looks in detail at the importance of hydrogen bonds, their variability and how they balance hydrophobic interactions.",
	collection = "molecular interactions",
	keywords = "hydrogen bonds; hydrophobic effect",
	rating = "2",
	read = "2012-12-10",
	year = 1999
}

@Article{1999-Drolet-Fredrickson,
	Author = "François Drolet and Glenn H. Fredrickson",
	Title = "{Combinatorial screening of complex block copolymer assembly with self-consistent field theory}",
	Journal = "Phys. Rev. Lett.",
	Volume = "83",
	Number = "21",
	Pages = "4317–4320",
	collection = "polymers",
	doi = "10.1103/PhysRevLett.83.4317",
	year = 1999
}

@Article{1999-Espinosa-SLL,
	Author = "E. Espinosa and M. Souhassou and H. Lachekar and Claude Lecomte",
	Title = "{Topological analysis of the electron density in hydrogen bonds}",
	Journal = "Acta Cryst. B",
	Volume = "55",
	Pages = "563–572",
	collection = "hydrogen bonding",
	doi = "10.1107/S0108768199002128",
	year = 1999
}

@Article{1999-Fradera-AB,
	Author = "Xavier Fradera and Maggie A. Austen and Richard F. W. Bader",
	Title = "{The Lewis Model and Beyond}",
	Journal = "J. Phys. Chem. A",
	Volume = "103",
	Number = "2",
	Pages = "304–314",
	collection = "quantum chemistry",
	doi = "10.1021/jp983362q",
	year = 1999
}

@Article{1999-Ginzburg-Balazs,
	Author = "Valeriy V. Ginzburg and Anna C. Balazs",
	Title = "{Calculating phase diagrams of polymer-platelet mixtures using density functional theory: implication for polymer/clay composites}",
	Journal = "Macromolecules",
	Volume = "32",
	Pages = "5681–5688",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma990135t",
	year = 1999
}

@Article{1999-Grembecka-KS,
	Author = "Jolanta Grembecka and Paweł Kędzierski and W. Andrzej Sokalski",
	Title = "{Non-empirical analysis of the nature of the inhibitor–active-site interactions in leucine aminopeptidase}",
	Journal = "Chem. Phys. Lett.",
	Volume = "313",
	Number = "1-2",
	Pages = "385–392",
	collection = "enzymes",
	doi = "10.1016/S0009-2614(99)01012-X",
	keywords = "active site",
	year = 1999
}

@Article{1999-Hobza-Sponer,
	Author = "Pavel Hobza and Jiří Šponer",
	Title = "{Structure, energetics, and dynamics of the nucleic acid base pairs: nonempirical ab initio calculations}",
	Journal = "Chem. Rev.",
	Volume = "99",
	Number = "11",
	Pages = "3247–3276",
	collection = "nucleic acid bases",
	doi = "10.1021/cr9800255",
	year = 1999
}

@Article{1999-Kitaura-IANU,
	Author = "Kazuo Kitaura and Eiji Ikeo and Toshio Asada and Tatsuya Nakano and Masami Uebayasi",
	Title = "{Fragment molecular orbital method: an approximate computational method for large molecules}",
	Journal = "Chem. Phys. Lett.",
	Volume = "313",
	Number = "3-4",
	Pages = "701–706",
	collection = "quantum chemistry",
	doi = "10.1016/S0009-2614(99)00874-X",
	year = 1999
}

@Article{1999-Mavrantzas-BZT,
	Author = "Vlasis G. Mavrantzas and Travis D. Boone and Evangelia Zervopoulou and Doros N. Theodorou",
	Title = "{End-bridging Monte Carlo: a fast algorithm for atomistic simulation of condensed phases of long polymer chains}",
	Journal = "Macromolecules",
	Volume = "32",
	Pages = "5072–5096",
	collection = "polymers",
	doi = "10.1021/ma981745g",
	keywords = "algorithms",
	methods = "MC",
	rating = "2",
	year = 1999
}

@Article{1999-Medhi-MPT,
	Author = "C. Medhi and J. B. O. Mitchell and Sarah L. Price and A. B. Tabor",
	Title = "{Electrostatic factors in {DNA} intercalation}",
	Journal = "Biopolymers",
	Volume = "52",
	Number = "2",
	Pages = "84–93",
	collection = "nucleic acid intercalation",
	doi = "10.1002/1097-0282(1999)52:2",
	keywords = "nucleic acid intercalation",
	rating = "2",
	year = 1999
}

@Article{1999-Pope-DLRTW,
	Author = "Lisa H. Pope and M. C. Davies and C. A. Laughton and C. J. Roberts and S. J. B. Tendler and P. M. Williams",
	Title = "{Intercalation-induced changes in {DNA} supercoiling observed in real-time by atomic force microscopy}",
	Journal = "Anal. Chim. Acta",
	Volume = "400",
	Number = "1-3",
	Pages = "27–32",
	collection = "nucleic acid intercalation",
	doi = "10.1016/S0003-2670(99)00624-8",
	year = 1999
}

@Article{1999-Qu-Chaires,
	Author = "Xiaogang Qu and Jonathan B. Chaires",
	Title = "{Contrasting Hydration Changes for Ethidium and Daunomycin Binding to {DNA}}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "121",
	Number = "11",
	Pages = "2649–2650",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja984366b",
	year = 1999
}

@Article{1999-Ren-Chaires,
	Author = "Jinsong S. Ren and Jonathan B. Chaires",
	Title = "{Sequence and structural selectivity of nucleic acid binding ligands}",
	Journal = "Biochemistry",
	Volume = "38",
	Number = "49",
	Pages = "16067 – 16075",
	collection = "nucleic acid drugs",
	doi = "10.1021/bi992070s",
	year = 1999
}

@Article{1999-Schutz-HW,
	Author = "Martin Schütz and Georg Hetzer and {Hans-Joachim} Werner",
	Title = "{Low-order scaling local electron correlation methods. I. Linear scaling local {MP2}}",
	Journal = "J. Chem. Phys.",
	Volume = "111",
	Number = "13",
	Pages = "5691–5705",
	collection = "quantum chemistry",
	doi = "10.1063/1.479957",
	keywords = "electronic structure; algorithms",
	year = 1999
}

@Article{1999-Sevink-ZVMF,
	Author = "G. J. Agur Sevink and Andrei V. Zvelindovsky and {B. A. C. van} Vlimmeren and N. M. Maurits and Johannes G. E. M. Fraaije",
	Title = "{Dynamics of surface directed mesophase formation in block copolymer melts}",
	Journal = "J. Chem. Phys.",
	Volume = "110",
	Number = "4",
	Pages = "2250–2256",
	collection = "block copolymers",
	doi = "10.1063/1.477837",
	keywords = "block copolymers; nanoconfinement",
	year = 1999
}

@Article{1999-Simon-DD,
	Author = "Silvia Simon and Miquel Duran and Joseph J. Dannenberg",
	Title = "{Effect of basis set superposition error on the water dimer surface calculated at Hartree-Fock, Møller–Plesset, and density functional theory levels}",
	Journal = "J. Phys. Chem. A",
	Volume = "103",
	Pages = "1640–1643",
	collection = "basis set superposition",
	doi = "10.1021/jp9842188",
	keywords = "water",
	year = 1999
}

@Article{1999-Soo-HJCSM,
	Author = "Philip P. Soo and Biying Huang and Young-Il Jang and Yet-Ming Chiang and Donald R. Sadoway and Anne M. Mayes",
	Title = "{Rubbery block copolymer electrolytes for solid-state rechargeable lithium batteries}",
	Journal = "J. Electrochem. Soc.",
	Volume = "146",
	Number = "1",
	Pages = "32–37",
	collection = "block copolymer nanocomposites",
	doi = "10.1149/1.1391560",
	keywords = "block copolymers; nanospheres; polymer nanocomposites",
	year = 1999
}

@Article{1999-Tang-Huang,
	Author = "{Tzyh-Chyang} Tang and {Hsuan-Jung} Huang",
	Title = "{Electrochemical Studies of the Intercalation of Ethidium Bromide to {DNA}}",
	Journal = "Electroanalysis",
	Volume = "11",
	Number = "16",
	Pages = "1185–1190",
	collection = "nucleic acid intercalation",
	doi = "10.1002/(SICI)1521-4109(199911)11:16",
	keywords = "nucleic acid intercalation",
	systems = "sthidium bromide",
	year = 1999
}

@Article{1999-Teague-DLO,
	Author = "Simon J. Teague and Andrew M. Davis and Paul D. Leeson and Tudor Oprea",
	Title = "{The design of leadlike combinatorial libraries}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "38",
	Number = "24",
	Pages = "3743–3748",
	collection = "cheminformatics",
	doi = "10.1002/(SICI)1521-3773(19991216)38:24",
	keywords = "drug design",
	year = 1999
}

@Article{1999-Tsutsumi-FHH,
	Author = "Kiyoharu Tsutsumi and Yoshinori Funaki and Yoshitsugu Hirokawa and Takeji Hashimoto",
	Title = "{Selective incorporation of palladium nanoparticles into microphase-separated domains of poly(2-vinylpyridine)-block-polyisoprene}",
	Journal = "Langmuir",
	Volume = "15",
	Pages = "5200–5203",
	Note = "Bare Pd nanoparticles go into domains, whereas coated with the BCP go to the interface.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/la990246l",
	keywords = "block copolymers; nanoparticle distribution; nanoparticle grafts; polymer nanocomposites",
	methods = "TEM",
	rating = "2",
	read = "2012-03-21",
	systems = "Pd@P2VP-PI, Pd-P2VP-PI@P2VP-PI",
	year = 1999
}

@Article{1999-Vlimmeren-MZSF,
	Author = "{B. A. C. van} Vlimmeren and N. M. Maurits and Andrei V. Zvelindovsky and G. J. Agur Sevink and Johannes G. E. M. Fraaije",
	Title = "{Simulation of {3D} Mesoscale Structure Formation in Concentrated Aqueous Solution of the Triblock Polymer Surfactants {(Ethylene} {Oxide)13(Propylene} {Oxide)30(Ethylene} Oxide)13 and {(Propylene} {Oxide)19(Ethylene} {Oxide)33(Propylene} Oxide)19. Application of Dynamic {Mean-Field} Density Functional Theory}",
	Journal = "Macromolecules",
	Volume = "32",
	Number = "3",
	Pages = "646–656",
	collection = "block copolymers",
	doi = "10.1021/ma980947",
	keywords = "block copolymers",
	methods = "DDFT",
	year = 1999
}

@Article{1999-Word-LRR,
	Author = "J. M. Word and S. C. Lovell and J. S. Richardson and D. C. Richardson",
	Title = "{Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation}",
	Journal = "J. Mol. Biol.",
	Volume = "285",
	Number = "4",
	Pages = "1735–1747",
	cited = "67 (2005-05-05)",
	collection = "cheminformatics",
	year = 1999
}

@Article{1999-Yeung-Shi,
	Author = "Chuck Yeung and An-Chang Shi",
	Title = "{Formation of interfaces in incompatible polymer blends: a dynamical mean field study}",
	Journal = "Macromolecules",
	Volume = "32",
	Pages = "3637–3642",
	collection = "polymers",
	doi = "10.1021/ma981648n",
	year = 1999
}

@Article{2000-Alexandre-Dubois,
	Author = "Michael Alexandre and Philippe Dubois",
	Title = "{Polymer-layered silicate nanocomposites: preparation, properties and uses of a new class of materials}",
	Journal = "Materials Science and Engineering: R: Reports",
	Volume = "28",
	Number = "1-2",
	Pages = "1–63",
	collection = "polymer nanocomposites",
	doi = "10.1016/S0927-796X(00)00012-7",
	keywords = "polymer nanocomposites",
	year = 2000
}

@Article{2000-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Atomic force microscope as an open system and the Ehrenfest force}",
	Journal = "Phys. Rev. B",
	Volume = "61",
	Number = "11",
	Pages = "7795",
	collection = "quantum physics",
	doi = "10.1103/PhysRevB.61.7795",
	year = 2000
}

@Article{2000-Bader-BH,
	Author = "Richard F. W. Bader and David Bayles and G. L. Heard",
	Title = "{Properties of atoms in molecules: Transition probabilities}",
	Journal = "J. Chem. Phys.",
	Volume = "112",
	Number = "23",
	Pages = "10095–10105",
	collection = "molecular fragmentation",
	doi = "10.1063/1.481651",
	shorttitle = "Properties of atoms in molecules",
	year = 2000
}

@Article{2000-Bader-Bayles,
	Author = "Richard F. W. Bader and David Bayles",
	Title = "{Properties of Atoms in Molecules: Group Additivity}",
	Journal = "J. Phys. Chem. A",
	Volume = "104",
	Number = "23",
	Pages = "5579–5589",
	collection = "molecular fragmentation",
	doi = "10.1021/jp9943631",
	shorttitle = "Properties of Atoms in Molecules",
	year = 2000
}

@Article{2000-Bailly-LDL,
	Author = "Christian Bailly and William Laine and Martine Demeunynck and Jean Lhomme",
	Title = "{Enantiospecific Recognition of DNA Sequences by a Proflavine Troger Base}",
	Journal = "Biochem. Biophys. Res. Commun.",
	Volume = "273",
	Number = "2",
	Pages = "681–685",
	collection = "nucleic acid intercalation",
	doi = "10.1006/bbrc.2000.2997",
	year = 2000
}

@Article{2000-Balazs-GQPJ,
	Author = "Anna C. Balazs and Valeriy V. Ginzburg and Feng Qiu and Gongwen Peng and David Jasnow",
	Title = "{Multi-scale model for binary mixtures containing nanoscopic particles}",
	Journal = "J. Phys. Chem. B",
	Volume = "104",
	Pages = "3411–3422",
	collection = "polymer nanocomposites",
	doi = "10.1021/jp993356",
	keywords = "mesophase transitions; nanospheres",
	year = 2000
}

@Article{2000-Blackburn,
	Author = "Elizabeth H. Blackburn",
	Title = "{Telomere states and cell fates}",
	Journal = "Nature",
	Volume = "408",
	Number = "6808",
	Pages = "53–56",
	collection = "cells",
	doi = "10.1038/35040500",
	year = 2000
}

@Article{2000-Bondarev-SV,
	Author = "Dmitry A. Bondarev and William J. Skawinski and Carol A. Venanzi",
	Title = "{Nature of Intercalator {Amiloride−Nucelobase} Stacking. An Empirical Potential and ab Initio Electron Correlation Study}",
	Journal = "J. Phys. Chem. B",
	Volume = "104",
	Number = "4",
	Pages = "815–822",
	collection = "nucleic acid intercalation",
	doi = "10.1021/jp9926140",
	year = 2000
}

@Article{2000-Bruice-Benkovic,
	Author = "Thomas C. Bruice and Stephen J. Benkovic",
	Title = "{Chemical basis for enzyme catalysis}",
	Journal = "Biochemistry",
	Volume = "39",
	Number = "21",
	Pages = "6267–6274",
	collection = "enzymes",
	doi = "10.1021/bi0003689",
	year = 2000
}

@Article{2000-Caseri,
	Author = "Walter Caseri",
	Title = "{Nanocomposites of polymers and metals or semiconductors: historical background and optical properties}",
	Journal = "Macromol. Rapid Commun.",
	Volume = "21",
	Number = "11",
	Pages = "705–722",
	collection = "polymer nanocomposites",
	doi = "10.1002/1521-3927(20000701)21:11",
	keywords = "optical properties",
	year = 2000
}

@Article{2000-Chalasinski-Szczesniak,
	Author = "Grzegorz Chałasiński and Małgorzata M. Szczęśniak",
	Title = "{State of the art and challenges of the ab initio theory of intermolecular interactions}",
	Journal = "Chem. Rev.",
	Volume = "100",
	Number = "11",
	Pages = "4227 – 4252",
	collection = "molecular interactions",
	doi = "10.1021/cr990048z",
	year = 2000
}

@Article{2000-Chen-TT,
	Author = "Wei Chen and Nicholas J. Turro and Donald A. Tomalia",
	Title = "{Using Ethidium Bromide To Probe the Interactions between {DNA} and Dendrimers†}",
	Journal = "Langmuir",
	Volume = "16",
	Number = "1",
	Pages = "15–19",
	collection = "nucleic acids",
	doi = "10.1021/la981429v",
	keywords = "dendrimers",
	year = 2000
}

@Article{2000-Ginzburg-GQPB,
	Author = "Valeriy V. Ginzburg and Corey Gibbons and Feng Qiu and Gongwen Peng and Anna C. Balazs",
	Title = "{Modeling the dynamic behavior of diblock copolymer/particle composites}",
	Journal = "Macromolecules",
	Volume = "33",
	Pages = "6140–6147",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma991065t",
	keywords = "mesophase transitions; nanospheres",
	methods = "CDS/BD",
	year = 2000
}

@Article{2000-Ginzburg-SB,
	Author = "Valeriy V. Ginzburg and Chandralekha Singh and Anna C. Balazs",
	Title = "{Theoretical phase diagrams of polymer/clay composites: the role of grafted organic modifiers}",
	Journal = "Macromolecules",
	Volume = "33",
	Pages = "1089–1099",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma991324e",
	year = 2000
}

@Article{2000-Graves-Velea,
	Author = "David E. Graves and L. M. Velea",
	Title = "{Intercalative binding of small molecules to nucleic acids}",
	Journal = "Curr. Org. Chem.",
	Volume = "4",
	Number = "9",
	Pages = "915–929",
	collection = "nucleic acid intercalation",
	doi = "10.2174/1385272003375978",
	keywords = "nucleic acids; intercalation",
	year = 2000
}

@Article{2000-Guckian-SRSTK,
	Author = "Kevin M. Guckian and Barbara A. Schweitzer and Rex X.-F. Ren and Charles J. Sheils and Deborah C. Tahmassebi and Eric T. Kool",
	Title = "{Factors contributing to aromatic stacking in water: evaluation in the context of {DNA}}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "122",
	Number = "10",
	Pages = "2213–2222",
	collection = "stacking",
	doi = "10.1021/ja9934854",
	year = 2000
}

@Article{2000-Hamza-VHM,
	Author = "A. Hamza and Á. Vibók and G. J. Halász and Istvan Mayer",
	Title = "{BSSE-free SCF theories: a comment}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "501",
	Pages = "427–434",
	collection = "basis set superposition",
	doi = "10.1016/S0166-1280(99)00454-6",
	year = 2000
}

@Article{2000-Haq-Ladbury,
	Author = "Ihtshamul Haq and John Ladbury",
	Title = "{Drug-{DNA} recognition: energetics and implications for design}",
	Journal = "J. Mol. Recognit.",
	Volume = "13",
	Number = "4",
	Pages = "188 – 197",
	collection = "nucleic acid drugs",
	doi = "10.1002/1099-1352(200007",
	year = 2000
}

@Article{2000-Hernandez-Trujillo-Bader,
	Author = "Jesús Hernández-Trujillo and Richard F. W. Bader",
	Title = "{Properties of Atoms in Molecules: Atoms Forming Molecules}",
	Journal = "J. Phys. Chem. A",
	Volume = "104",
	Number = "8",
	Pages = "1779–1794",
	collection = "molecular fragmentation",
	doi = "10.1021/jp994096z",
	methods = "QTAIM",
	shorttitle = "Properties of Atoms in Molecules",
	year = 2000
}

@Article{2000-Hodges-Stone,
	Author = "Matthew P. Hodges and Anthony J. Stone",
	Title = "{A new representation of the dispersion interaction}",
	Journal = "Mol. Phys.",
	Volume = "98",
	Number = "5",
	Pages = "275–286",
	collection = "molecular interactions",
	doi = "10.1080/00268970009483291",
	year = 2000
}

@Article{2000-Hodges-Wheatley,
	Author = "Matthew P. Hodges and Richard J. Wheatley",
	Title = "{Flexible multipole models for hydrogen fluoride}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "2",
	Number = "8",
	Pages = "1631–1638",
	collection = "molecular electrostatics",
	doi = "10.1039/a910293k",
	year = 2000
}

@Article{2000-Huh-GB,
	Author = "June Huh and Valeriy V. Ginzburg and Anna C. Balazs",
	Title = "{Thermodynamic behavior of particle/diblock copolymer mixtures: simulation and theory}",
	Journal = "Macromolecules",
	Volume = "33",
	Pages = "8085–8096",
	Note = "Contains phase diagrams as a function of particle size and concentration, and describes new ordered structures for particles comparable to polymer radius of gyration.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma000708y",
	keywords = "mesophase transitions; nanoparticle distribution; nanospheres",
	methods = "SST, MC",
	rating = "2",
	year = 2000
}

@Article{2000-Huinink-BDS,
	Author = "H. P. Huinink and J. C. M. {Brokken-Zijp} and {M. A. van} Dijk and G. J. Agur Sevink",
	Title = "{Asymmetric block copolymers confined in a thin film}",
	Journal = "J. Chem. Phys.",
	Volume = "112",
	Number = "5",
	Pages = "2452–2462",
	collection = "block copolymers",
	doi = "10.1063/1.480811",
	keywords = "block copolymers; thin films",
	year = 2000
}

@Article{2000-Ioannides-GBB,
	Author = "Demetris Ioannides and Brian D. Golden and Jill P. Buyon and Jean-Claude Bystryn",
	Title = "{Expression of SS-A/Ro and SS-B/La antigens in skin biopsy specimens of patients with photosensitive forms of lupus erythematosus}",
	Journal = "Arch. Dermatol.",
	Volume = "136",
	Number = "3",
	Pages = "340–346",
	collection = "cells",
	year = 2000
}

@Article{2000-Jansen,
	Author = "Georg Jansen",
	Title = "{Convergence of multipole expanded intermolecular interaction energies for Gaussian-type-function and Slater-type-function basis sets}",
	Journal = "Theor. Chem. Acc.",
	Volume = "104",
	Pages = "499–506",
	collection = "molecular electrostatics",
	doi = "10.1007/s002140000178",
	year = 2000
}

@Article{2000-Jenkins,
	Author = "Terence C. Jenkins",
	Title = "{Targeting multi-stranded {DNA} structures}",
	Journal = "Curr. Med. Chem.",
	Volume = "7",
	Number = "1",
	Pages = "99 – 115",
	collection = "nucleic acid drugs",
	doi = "10.2174/0929867003375551",
	year = 2000
}

@Article{2000-Jeziorska-JSJ,
	Author = "Małgorzata Jeziorska and Piotr Jankowski and Krzysztof Szalewicz and Bogumił Jeziorski",
	Title = "{On the optimal choice of monomer geometry in calculations of intermolecular interaction energies: rovibrational spectrum of Ar-HF from two- and three-dimensional potentials}",
	Journal = "J. Chem. Phys.",
	Volume = "113",
	Number = "8",
	Pages = "2957–2968",
	collection = "molecular interactions",
	doi = "10.1063/1.1287058",
	year = 2000
}

@Article{2000-Kedzierski-SK,
	Author = "Paweł Kędzierski and W. Andrzej Sokalski and Morris Krauss",
	Title = "{Nonempirical analysis of nature of catalytic effects in ribonuclease {A} active site}",
	Journal = "J. Comp. Chem.",
	Volume = "21",
	Number = "6",
	Pages = "432–445",
	cited = "6 (2005-05-23)",
	collection = "enzymes",
	doi = "10.1002/(SICI)1096-987X(20000430)21:6",
	keywords = "active site",
	year = 2000
}

@Article{2000-Klopper-RD,
	Author = "Wim Klopper and {Jeanne G. C. M. van} {Duijneveldt-van de Rijdt} and {Frans B. van} {Duijneveldt}",
	Title = "{Computational determination of equilibrium geometry and dissociation energy of the water dimer}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "2",
	Pages = "2227–2234",
	collection = "hydrogen bonding",
	doi = "10.1039/a910312k",
	keywords = "water",
	methods = "CCSD(T)",
	systems = "water dimer",
	year = 2000
}

@Article{2000-Kulkarni-CSZ,
	Author = "Amit M. Kulkarni and Avik P. Chatterjee and Kenneth S. Schweizer and Charles F. Zukoski",
	Title = "{Effects of polyethylene gylcol on protein interactions}",
	Journal = "J. Chem. Phys.",
	Volume = "113",
	Number = "21",
	Pages = "9863–9873",
	collection = "polymers",
	doi = "10.1063/1.1321042",
	year = 2000
}

@Article{2000-Lane-Jenkins,
	Author = "Andrew N. Lane and Terence C. Jenkins",
	Title = "{Thermodynamics of nucleic acids and their interactions with ligands}",
	Journal = "Q. Rev. Biophys.",
	Volume = "33",
	Number = "3",
	Pages = "255 – 306",
	collection = "nucleic acid drugs",
	doi = "10.1017/S0033583500003632",
	year = 2000
}

@Article{2000-Leininger-AIS,
	Author = "Matthew L. Leininger and Wesley D. Allen and {Henry F. III} Schaefer and C. David Sherrill",
	Title = "{Is Møller–Plesset perturbation theory a convergent ab initio method?}",
	Journal = "J. Chem. Phys.",
	Volume = "112",
	Number = "21",
	Pages = "9213–9222",
	collection = "quantum chemistry",
	doi = "10.1063/1.481764",
	keywords = "electronic structure",
	year = 2000
}

@Article{2000-Matta-Bader,
	Author = "Chérif F. Matta and Richard F. W. Bader",
	Title = "{An {Atoms-In-Molecules} study of the genetically-encoded amino acids: I. Effects of conformation and of tautomerization on geometric, atomic, and bond properties}",
	Journal = "Proteins",
	Volume = "40",
	Number = "2",
	Pages = "310–329",
	collection = "protein amino acids",
	doi = "10.1002/(SICI)1097-0134(20000801)40:2",
	shorttitle = "An {Atoms-In-Molecules} study of the genetically-encoded amino acids",
	year = 2000
}

@Article{2000-Michielsen-Raedt,
	Author = "K. Michielsen and H. De Raedt",
	Title = "{Morphological image analysis}",
	Journal = "Comp. Phys. Comm.",
	Volume = "132",
	Pages = "94–103",
	collection = "informatics",
	doi = "10.1016/S0010-4655(00)00139-9",
	keywords = "algorithms",
	year = 2000
}

@Article{2000-Mierzwicki-Latajka,
	Author = "Krzysztof Mierzwicki and Zdzisław Latajka",
	Title = "{Basis set superposition error in calculations of nonadditive effects in Li(NH3)(n) and Li(NH3)(n)(+) (n=1-4) clusters}",
	Journal = "Chem. Phys. Lett.",
	Volume = "325",
	Pages = "465–472",
	collection = "basis set superposition",
	doi = "10.1016/S0009-2614(00)00721-1",
	year = 2000
}

@Article{2000-Mo-GP,
	Author = "Yirong Mo and Jiali Gao and Sigrid D. Peyerimhoff",
	Title = "{Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach}",
	Journal = "J. Chem. Phys.",
	Volume = "112",
	Number = "13",
	Pages = "5530–5538",
	collection = "molecular interactions",
	doi = "10.1063/1.481185",
	year = 2000
}

@Article{2000-Nakano-KSAUK,
	Author = "Tatsuya Nakano and Tsuguchika Kaminuma and Toshiyuki Sato and Yutaka Akiyama and Masami Uebayasi and Kazuo Kitaura",
	Title = "{Fragment molecular orbital method: application to polypeptides}",
	Journal = "Chem. Phys. Lett.",
	Volume = "318",
	Pages = "614–618",
	collection = "protein structure",
	year = 2000
}

@Article{2000-Patricelli-Cravatt,
	Author = "Matthew P. Patricelli and Benjamin F. Cravatt",
	Title = "{Clarifying the catalytic roles of conserved residues in the amidase signature family}",
	Journal = "J. Biol. Chem.",
	Volume = "275",
	Number = "25",
	Pages = "19177–19184",
	collection = "enzymes",
	doi = "10.1074/jbc.M001607200",
	year = 2000
}

@Article{2000-Pope-DLRTW,
	Author = "Lisa H. Pope and M. C. Davies and C. A. Laughton and C. J. Roberts and S. J. B. Tendler and P. M. Williams",
	Title = "{Atomic force microscopy studies of intercalation-induced changes in plasmid {DNA} tertiary structure}",
	Journal = "J. Microsc.",
	Volume = "199",
	Number = "1",
	Pages = "68–78",
	collection = "nucleic acid intercalation",
	doi = "10.1046/j.1365-2818.2000.00703.x",
	year = 2000
}

@Article{2000-Porter-MT,
	Author = "D. Porter and E. Metcalfe and M. J. K. Thomas",
	Title = "{Nanocomposite fire retardants - a review}",
	Journal = "Fire and Materials",
	Volume = "24",
	Pages = "45–52",
	collection = "polymer nanocomposites",
	doi = "10.1002/(SICI)1099-1018(200001",
	keywords = "block copolymers; fire retardants",
	type = "Review",
	year = 2000
}

@Article{2000-Ren-JC,
	Author = "Jinsong S. Ren and Terence C. Jenkins and Jonathan B. Chaires",
	Title = "{Energetics of {DNA} intercalation reactions}",
	Journal = "Biochemistry",
	Volume = "39",
	Pages = "8439–8447",
	collection = "nucleic acid intercalation",
	doi = "10.1021/bi000474a",
	year = 2000
}

@Article{2000-Rudnicki-KSPL,
	Author = "Witold R. Rudnicki and Małgorzata Kurzepa and Teresa Szczepanik and Waldemar Priebe and Bogdan Lesyng",
	Title = "{A simple model for predicting the free energy of binding between anthracycline antibiotics and DNA}",
	Journal = "Acta Biochim. Pol.",
	Number = "47",
	Pages = "1–9",
	collection = "nucleic acid intercalation",
	year = 2000
}

@Article{2000-Salvador-FD,
	Author = "Pedro Salvador and Xavier Fradera and Miquel Duran",
	Title = "{Effect of basis set superposition error on the electron density of molecular complexes}",
	Journal = "J. Chem. Phys.",
	Volume = "112",
	Pages = "10106–10115",
	collection = "basis set superposition",
	doi = "10.1063/1.481703",
	year = 2000
}

@Article{2000-Scerri,
	Author = "Eric R. Scerri",
	Title = "{Philosophy of chemistry – a new interdisciplinary field?}",
	Journal = "J. Chem. Ed.",
	Volume = "77",
	Number = "4",
	Pages = "522",
	collection = "philosophy",
	doi = "10.1021/ed077p522",
	year = 2000
}

@Article{2000-Schaftenaar-Noordik,
	Author = "G. Schaftenaar and J.H. Noordik",
	Title = "{Molden: a pre- and post-processing program for molecular and electronic structures}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "14",
	Pages = "123–134",
	collection = "cheminformatics",
	url = "http://www.cmbi.kun.nl/molden",
	year = 2000
}

@Article{2000-Srivastava,
	Author = "Vipin Srivastava",
	Title = "{A unified view of the orthogonalization methods}",
	Journal = "J. Phys. A: Math. Gen.",
	Volume = "33",
	Pages = "6219–6222",
	collection = "quantum chemistry",
	keywords = "algorithms",
	year = 2000
}

@Article{2000-Torheyden-Jansen,
	Author = "Martin Torheyden and Georg Jansen",
	Title = "{Interaction energies for the water dimer by supermolecular methods and symmetry-adapted perturbation theory: the role of bond functions and convergence of basis subsets}",
	Journal = "Theor. Chem. Acc.",
	Volume = "104",
	Number = "5",
	Pages = "370 – 384",
	collection = "hydrogen bonding",
	doi = "10.1007/s002140000152",
	year = 2000
}

@Article{2000-Ueda-PYD,
	Author = "Natsuo Ueda and Robyn A. Puffenbarger and Shozo Yamamoto and Dale G. Deutsch",
	Title = "{The fatty acid amide hydrolase (FAAH)}",
	Journal = "Chem. Phys. Lipids",
	Volume = "108",
	Pages = "107–121",
	collection = "enzymes",
	systems = "fatty acid amide hydrolase",
	year = 2000
}

@Article{2000-Wommack-Colwell,
	Author = "K. E. Wommack and R. R. Colwell",
	Title = "{Virioplankton: viruses in aquatic ecosystems}",
	Journal = "Microbiol. Mol. Biol. Rev.",
	Volume = "64",
	Number = "1",
	Pages = "69 – 114",
	collection = "viruses",
	doi = "10.1128/MMBR.64.1.69-114.2000",
	year = 2000
}

@Article{2000-Zewail,
	Author = "Ahmed H. Zewail",
	Title = "{Femtochemistry: atomic-scale dynamics of the chemical bond}",
	Journal = "J. Phys. Chem. A",
	Volume = "104",
	Number = "24",
	Pages = "5660–5694",
	collection = "molecular reactions",
	doi = "10.1021/jp001460h",
	year = 2000
}

@Article{2000-Zewail-1,
	Author = "Ahmed H. Zewail",
	Title = "{Femtochemistry. Past, present, and future}",
	Journal = "Pure Appl. Chem.",
	Volume = "72",
	Number = "12",
	Pages = "2219–2231",
	collection = "molecular reactions",
	doi = "10.1351/pac200072122219",
	year = 2000
}

@Article{2001-Adam,
	Author = "Stefan Adams",
	Title = "{Relationship between bond valence and bond softness of alkali halides and chalcogenides}",
	Journal = "Acta Cryst. B",
	Volume = "57",
	Pages = "278–287",
	Note = "Good points on the behavior of bond valence sums in the second coordination shell",
	collection = "crystallography",
	doi = "10.1107/S0108768101003068",
	rating = "2",
	read = "2013-02-19",
	year = 2009
}

@Article{2001-Arthanari-Bolton,
	Author = "Haribabu Arthanari and Philip H. Bolton",
	Title = "{Functional and dysfunctional roles of quadruplex {DNA} in cells}",
	Journal = "Chem. Biol.",
	Volume = "8",
	Number = "3",
	Pages = "221 – 230",
	collection = "cells",
	year = 2001
}

@Article{2001-Bader-Matta,
	Author = "Richard F. W. Bader and Chérif F. Matta",
	Title = "{Properties of atoms in crystals: Dielectric polarization}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "85",
	Number = "4-5",
	Pages = "592–607",
	collection = "molecular fragmentation",
	doi = "10.1002/qua.1540",
	shorttitle = "Properties of atoms in crystals",
	year = 2001
}

@Article{2001-Blackburn,
	Author = "Elizabeth H. Blackburn",
	Title = "{Switching and signaling at the telomere}",
	Journal = "Cell",
	Volume = "106",
	Number = "6",
	Pages = "661–673",
	collection = "nucleic acids",
	doi = "10.1016/S0092-8674(01)00492-5",
	year = 2001
}

@Article{2001-Brana-CGPR,
	Author = "M. F. Brano and M. Cacho and A. Gradillas and B. {de Pascual-Teresa} and A. Ramos",
	Title = "{Intercalators as anticancer drugs}",
	Journal = "Curr. Pharm. Design",
	Volume = "7",
	Pages = "1745–1780",
	collection = "nucleic acid intercalation",
	year = 2001
}

@Article{2001-Champoux,
	Author = "James J. Champoux",
	Title = "{D{NA} topoisomerases: {S}tructure, function, and mechanism}",
	Journal = "Ann. Rev. Biochem.",
	Volume = "70",
	Pages = "369 – 413",
	collection = "nucleic acids",
	doi = "10.1038/nrm831",
	year = 2001
}

@Article{2001-Cravatt-DPBGML,
	Author = "Benjamin F. Cravatt and Kristin Demarest and Matthew P. Patricelli and Michael H. Bracey and Dan K. Giang and Billy R. Martin and Aaron H. Lichtman",
	Title = "{Supersensitivity to anandamide and enhanced endogenous cannabinoid signaling in mice lacking fatty acid amide hydrolase4}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "98",
	Number = "16",
	Pages = "9371–9376",
	collection = "enzymes",
	doi = "10.1073/pnas.161191698",
	year = 2001
}

@Article{2001-Fasolka-Mayes,
	Author = "Michael J. Fasolka and Anne M. Mayes",
	Title = "{Block copolymer thin films: physics and applications}",
	Journal = "Ann. Rev. Mater. Res.",
	Volume = "31",
	Pages = "323–355",
	collection = "block copolymers",
	doi = "10.1146/annurev.matsci.31.1.323",
	keywords = "block copolymers; thin films",
	type = "Review",
	year = 2001
}

@Article{2001-Gallego-Varani,
	Author = "José Gallego and Gabriele Varani",
	Title = "{Targeting {RNA} with {Small-Molecule} Drugs: Therapeutic Promise and Chemical Challenges}",
	Journal = "Acc. Chem. Res.",
	Volume = "34",
	Number = "10",
	Pages = "836–843",
	collection = "nucleic acid drugs",
	doi = "10.1021/ar000118k",
	keywords = "drug discovery",
	shorttitle = "Targeting {RNA} with {Small-Molecule} Drugs",
	year = 2001
}

@Article{2001-Ganesan-Fredrickson,
	Author = "Venkat Ganesan and Glenn H. Fredrickson",
	Title = "{Field-theoretic polymer simulations}",
	Journal = "Europhys. Lett.",
	Volume = "55",
	Number = "6",
	Pages = "814–820",
	collection = "polymers",
	doi = "10.1209/epl",
	year = 2001
}

@Article{2001-Gordon-BRJW,
	Author = "T. P. Gordon and A. I. Bolstad and M. Rischmueller and R. Jonsson and S. A. Waterman",
	Title = "{Autoantibodies in primary Sjögren's syndrome: new insights into mechanisms of autoantibody diversification and disease pathogenesis}",
	Journal = "Autoimmunity",
	Volume = "34",
	Pages = "123–132",
	collection = "cells",
	year = 2001
}

@Article{2001-Grembecka-KSL,
	Author = "Jolanta Grembecka and Paweł Kędzierski and W. Andrzej Sokalski and Jerzy Leszczyński",
	Title = "{Electrostatic models of inhibitory activity}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "83",
	Number = "3-4",
	Pages = "180–192",
	cited = "2 (2005-05-23)",
	collection = "enzymes",
	doi = "10.1002/qua.1209",
	year = 2001
}

@Article{2001-Grishin,
	Author = "Nick V. Grishin",
	Title = "{Fold change in evolution of protein structure}",
	Journal = "J. Struct. Biol",
	Volume = "134",
	Pages = "167–185",
	Note = "Has some interesting examples of structural divergence caused by moderate differences in sequence.",
	cited = "224 (2013-07-10)",
	collection = "protein structure",
	doi = "10.1006/jsbi.2001.4335",
	keywords = "homology modeling; protein structure",
	rating = "2",
	read = "2013-07-08",
	year = 2001
}

@Article{2001-Hernandez-Trujillo-Bader,
	Author = "Jesús Hernández-Trujillo and Richard F. W. Bader",
	Title = "{Properties of atoms in molecules: Construction of one-density matrix from functional group densities}",
	Journal = "J. Chem. Phys.",
	Volume = "115",
	Number = "23",
	Pages = "10595–10607",
	collection = "molecular fragmentation",
	doi = "10.1063/1.1418435",
	shorttitle = "Properties of atoms in molecules",
	year = 2001
}

@Article{2001-Hill-MPHM,
	Author = "David J. Hill and Matthew J. Mio and Ryan B. Prince and Thomas S. Hughes and Jeffrey S. Moore",
	Title = "{A field guide to foldamers}",
	Journal = "Chem. Rev.",
	Volume = "101",
	Number = "12",
	Pages = "3893 – 4011",
	collection = "protein structure",
	doi = "10.1021/cr990120t",
	keywords = "protein folding",
	year = 2001
}

@Article{2001-Hunter-LPU,
	Author = "Christopher A. Hunter and Kevin R. Lawson and Julie Perkins and Christopher J. Urch",
	Title = "{Aromatic interactions}",
	Journal = "J. Chem. Soc. Perkin Trans. 2",
	Number = "5",
	Pages = "651–669",
	collection = "stacking",
	doi = "10.1039/b008495f",
	year = 2001
}

@Article{2001-Jansen-Hesselmann,
	Author = "Georg Jansen and Andreas Heßelmann",
	Title = "{Comment on 'Using {Kohn−Sham} Orbitals in {Symmetry-Adapted} Perturbation Theory To Investigate Intermolecular Interactions'}",
	Journal = "J. Phys. Chem. A",
	Volume = "105",
	Number = "49",
	Pages = "11156–11157",
	collection = "molecular interactions",
	doi = "10.1021/jp0112774",
	year = 2001
}

@Article{2001-Kedzierski-Sokalski,
	Author = "Paweł Kędzierski and W. Andrzej Sokalski",
	Title = "{Analysis of the transferability of atomic multipoles for amino acids in modeling macromolecular charge distribution from fragments}",
	Journal = "J. Comp. Chem.",
	Volume = "22",
	Number = "10",
	Pages = "1082–1097",
	cited = "5 (2005-05-05)",
	collection = "protein amino acids",
	doi = "10.1002/jcc.1068",
	year = 2001
}

@Article{2001-Kobko-Dannenberg,
	Author = "Nadya Kobko and Joseph J. Dannenberg",
	Title = "{Effect of basis set superposition error (BSSE) upon ab initio calculations of organic transition states}",
	Journal = "J. Phys. Chem. A",
	Volume = "105",
	Pages = "1944–1950",
	collection = "basis set superposition",
	doi = "10.1021/jp001970b",
	year = 2001
}

@Article{2001-Koeppel-RLMALPHM,
	Author = "Florence Koeppel and {Jean-François} Riou and Abdelazize Laoui and Patrick Mailliet and Paola B. Arimondo and Delphine Labit and Odile Petitgenet and Claude Helene and {Jean-Louis} Mergny",
	Title = "{Ethidium derivatives bind to G-quartets, inhibit telomerase and act as fluorescent probes for quadruplexes}",
	Journal = "Nucl. Acids Res.",
	Volume = "29",
	Number = "5",
	Pages = "1087–1096",
	collection = "nucleic acid intercalation",
	doi = "10.1093/nar",
	year = 2001
}

@Article{2001-Lane-Jenkins,
	Author = "Andrew N. Lane and Terence C. Jenkins",
	Title = "{Structures and properties of multi-stranded nucleic acids}",
	Journal = "Curr. Org. Chem.",
	Volume = "5",
	Number = "8",
	Pages = "845 – 869",
	collection = "nucleic acids",
	doi = "10.2174/1385272013375157",
	year = 2001
}

@Article{2001-Lara-Castells-KBDV,
	Author = "M. P. {de {Lara-Castells}} and R. V. Krems and A. A. Buchachenko and G. {Delgado-Barrio} and P. Villarreal",
	Title = "{Complete basis set extrapolation limit for electronic structure calculations: Energetic and nonenergetic properties of {HeBr} and {HeBr[sub} 2] van der Waals dimers}",
	Journal = "J. Chem. Phys.",
	Volume = "115",
	Number = "22",
	Pages = "10438–10449",
	collection = "basis set dependence",
	doi = "10.1063/1.1415078",
	shorttitle = "Complete basis set extrapolation limit for electronic structure calculations",
	year = 2001
}

@Article{2001-Luo-GPG,
	Author = "Ray Luo and Hillary S. R. Gilson and Michael J. Potter and Michael K. Gilson",
	Title = "{The physical basis of nucleic acid base stacking in water}",
	Journal = "Biophys. J.",
	Volume = "80",
	Number = "1",
	Pages = "140–148",
	cited = "16 (2005-04-27)",
	collection = "stacking",
	doi = "10.1016/S0006-3495(01)76001-8",
	year = 2001
}

@Article{2001-Maroulis,
	Author = "George Maroulis",
	Title = "{Accurate higher electric multipole moments for carbon monoxide}",
	Journal = "Chem. Phys. Lett.",
	Volume = "334",
	Number = "1-3",
	Pages = "214–219",
	collection = "molecular electrostatics",
	doi = "10.1016/S0009-2614(00)01413-5",
	keywords = "basis set superposition error",
	year = 2001
}

@Article{2001-Martin-Feher,
	Author = "P. A. Martin and M. Feher",
	Title = "{Ab initio calculations on the multipole moments and dipole polarisabilities of the {PO+} molecular ion {(X1[Sigma]+)}}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "540",
	Number = "1-3",
	Pages = "139–144",
	collection = "molecular reactions",
	doi = "10.1016/S0166-1280(00)00727-2",
	year = 2001
}

@Article{2001-Murdachaew-Szalewicz,
	Author = "Garold Murdachaew and Krzysztof Szalewicz",
	Title = "{Intermolecular potentials with flexible monomers}",
	Journal = "Faraday Discuss.",
	Volume = "118",
	Pages = "121–142",
	collection = "molecular interactions",
	doi = "10.1039/b009748i",
	year = 2001
}

@Article{2001-Nakatani-MAHS,
	Author = "Kazuhiko Nakatani and Takahiro Matsuno and Kaoru Adachi and Shinya Hagihara and Isao Saito",
	Title = "{Selective Intercalation of Charge Neutral Intercalators into {GG} and {CG} Steps: Implication of {HOMO-LUMO} Interaction for {Sequence-Selective} Drug Intercalation into {DNA}}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "123",
	Number = "24",
	Pages = "5695–5702",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja003956i",
	keywords = "nucleic acid intercalation",
	shorttitle = "Selective Intercalation of Charge Neutral Intercalators into {GG} and {CG} Steps",
	year = 2001
}

@Article{2001-Pacios-Gomez,
	Author = "L. F. Pacios and P. C. Gomez",
	Title = "{Atomic charges in conformers of gaseous glycine}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "544",
	Number = "1-3",
	Pages = "237–251",
	collection = "protein amino acids",
	doi = "10.1016/S0166-1280(01)00383-9",
	keywords = "glycine",
	year = 2001
}

@Article{2001-Paizs-SCDS,
	Author = "Béla Paizs and Pedro Salvador and Attila G. Császár and Miquel Duran and Sándor Suhai",
	Title = "{Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces}",
	Journal = "J. Comp. Chem.",
	Volume = "22",
	Number = "2",
	Pages = "196–207",
	collection = "basis set superposition",
	doi = "10.1002/1096-987X(20010130)22:2",
	year = 2001
}

@Article{2001-Politzer-MP,
	Author = "Peter Politzer and Jane S. Murray and Zenaida Peralta-Inga",
	Title = "{Molecular surface electrostatic potentials in relation to noncovalent interactions in biological systems}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "85",
	Pages = "676–684",
	collection = "molecular electrostatics",
	doi = "10.1002/qua.1706",
	year = 2001
}

@Article{2001-Popelier-JK,
	Author = "Paul L. A. Popelier and Laurent Joubert and D. S. Kosov",
	Title = "{Convergence of the electrostatic interaction based on topological atoms}",
	Journal = "J. Phys. Chem. A",
	Volume = "105",
	Number = "35",
	Pages = "8254–8261",
	cited = "25 (2005-05-24)",
	collection = "molecular electrostatics",
	doi = "10.1021/jp011511q",
	keywords = "multipole expansion",
	year = 2001
}

@Article{2001-Popelier-Kosov,
	Author = "Paul L. A. Popelier and D. S. Kosov",
	Title = "{Atom-atom partitioning of intramolecular and intermolecular coulomb energy}",
	Journal = "J. Chem. Phys.",
	Volume = "114",
	Number = "15",
	Pages = "6539–6547",
	cited = "14 (2005-05-24)",
	collection = "molecular electrostatics",
	doi = "10.1063/1.1356013",
	year = 2001
}

@Article{2001-Qu-Chaires,
	Author = "Xiaogang Qu and Jonathan B. Chaires",
	Title = "{Hydration changes for {DNA} intercalation reactions}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "123",
	Number = "1",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja002793v",
	year = 2001
}

@Article{2001-Salvador-PDS,
	Author = "Pedro Salvador and Béla Paizs and Miquel Duran and Sándor Suhai",
	Title = "{On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes}",
	Journal = "J. Comp. Chem.",
	Volume = "22",
	Pages = "765–786",
	collection = "basis set superposition",
	doi = "10.1002/jcc.1042",
	year = 2001
}

@Article{2001-Sevink-ZFH,
	Author = "G. J. Agur Sevink and Andrei V. Zvelindovsky and Johannes G. E. M. Fraaije and H. P. Huinink",
	Title = "{Morphology of symmetric block copolymer in a cylindrical pore}",
	Journal = "J. Chem. Phys.",
	Volume = "115",
	Number = "17",
	Pages = "8226–8230",
	collection = "block copolymers",
	doi = "10.1063/1.1403437",
	keywords = "block copolymers; nanoconfinement",
	year = 2001
}

@Article{2001-Sokalski-KG,
	Author = "W. Andrzej Sokalski and Paweł Kędzierski and Jolanta Grembecka",
	Title = "{Ab initio study of the physical nature of interactions between enzyme active site fragments in vacuo}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "3",
	Number = "5",
	Pages = "657–663",
	cited = "2 (2005-04-13)",
	collection = "enzymes",
	doi = "10.1039/b007280j",
	keywords = "active site",
	year = 2001
}

@Article{2001-Sordo,
	Author = "Jóse A. Sordo",
	Title = "{On the use of the Boys-Bernardi function counterpoise procedure to correct barrier heights for basis set superposition error}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "537",
	Pages = "245–251",
	collection = "basis set superposition",
	doi = "10.1016/S0166-1280(00)00681-3",
	year = 2001
}

@Article{2001-Swart-DS,
	Author = "Marcel Swart and Piet Th. {can Duijnen} and Jaap G. Snijders",
	Title = "{A charge analysis derived from an atomic multipole expansion}",
	Journal = "J. Comp. Chem.",
	Volume = "22",
	Number = "1",
	Pages = "79–88",
	collection = "molecular electrostatics",
	doi = "10.1002/1096-987X(20010115)22:1",
	keywords = "multipole expansion",
	year = 2001
}

@Article{2001-Thompson-GMB,
	Author = "Russell B. Thompson and Valeriy V. Ginzburg and Mark W. Matsen and Anna C. Balazs",
	Title = "{Predicting the mesophases of copolymer-nanoparticle composites}",
	Journal = "Science",
	Volume = "292",
	Pages = "2469–2472",
	Note = "Describes the SCFT/DFT combination and demonstrates some 2D configurations; first big BCP/NP paper.",
	collection = "block copolymer nanocomposites",
	doi = "10.1126/science.1060585",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SCFT/DFT",
	year = 2001
}

@Article{2001-Vardevanyan-AMK,
	Author = "P. O. Vardevanyan and A. P. Antonyan and G. A. Manukyan and A. T. Karapetyan",
	Title = "{Study of ethidium bromide interaction peculiarities with {DNA}}",
	Journal = "Exp. Mol. Med.",
	Volume = "33",
	Number = "4",
	Pages = "205–208",
	collection = "nucleic acid intercalation",
	year = 2001
}

@Article{2001-Velde-BBGGSZ,
	Author = "{G. te} Velde and F. Matthias Bickelhaupt and E. J. Baerends and Célia Fonseca Guerra and {S. J. A. van} Gisbergen and Jaap G. Snijders and Tom Ziegler",
	Title = "{Chemistry with {ADF}}",
	Journal = "J. Comp. Chem.",
	Volume = "22",
	Number = "9",
	Pages = "931–967",
	collection = "cheminformatics",
	doi = "10.1002/jcc.1056",
	year = 2001
}

@Article{2001-Williams-Chabalowski,
	Author = "Hayes L. Williams and Cary F. Chabalowski",
	Title = "{Using {Kohn−Sham} Orbitals in {Symmetry-Adapted} Perturbation Theory to Investigate Intermolecular Interactions}",
	Journal = "J. Phys. Chem. A",
	Volume = "105",
	Number = "3",
	Pages = "646–659",
	collection = "molecular interactions",
	doi = "10.1021/jp003883p",
	year = 2001
}

@Article{2002-Aarts-TL,
	Author = "D. G. A. L. Aarts and R. Tuinier and H. N. W. Lekkerkerker",
	Title = "{Phase behavior of mixtures of colloidal spheres and excluded-volume polymer chains}",
	Journal = "J. Phys.: Condens. Matter",
	Volume = "14",
	Pages = "7551–7561",
	collection = "polymers",
	year = 2002
}

@Article{2002-Allen,
	Author = "Frank H. Allen",
	Title = "{The Cambridge Structural Database: a quarter of a million crystal structures and rising}",
	Journal = "Acta Cryst. B",
	Volume = "58",
	Pages = "380–388",
	collection = "crystallography",
	keywords = "crystallgraphy; cheminformatics",
	rating = "2",
	read = "2014-03-25",
	year = 2002
}

@Article{2002-Baeurle,
	Author = "Stephan A. Baeurle",
	Title = "{Method of Gaussian equivalent representation: a new technique for reducing the sign problem of functional integral methods}",
	Journal = "Phys. Rev. Lett.",
	Volume = "89",
	Number = "8",
	Pages = "080602",
	collection = "statistical mechanics",
	doi = "10.1103/PhysRevLett.89.080602",
	year = 2002
}

@Article{2002-Baldeyrou-TBCHCD,
	Author = "Brigitte Baldeyrou and Christelle Tardy and Christian Bailly and Pierre Colson and Claude Houssier and Franck Charmantray and Martine Demeunynck",
	Title = "{Synthesis and DNA interaction of a mixed proflavine-phenanthroline Troger base}",
	Journal = "Eur. J. Med. Chem.",
	Volume = "37",
	Number = "4",
	Pages = "315–322",
	collection = "nucleic acid intercalation",
	doi = "10.1016/S0223-5234(02)01356-9",
	year = 2002
}

@Article{2002-Berge-JHWEH,
	Author = "Torunn Berge and Nigel S. Jenkins and Richard B. Hopkirk and Michael J. Waring and J. Michael Edwardson and Robert M. Henderson",
	Title = "{Structural perturbations in {DNA} caused by bis-intercalation of ditercalinium visualised by atomic force microscopy}",
	Journal = "Nucl. Acids Res.",
	Volume = "30",
	Number = "13",
	Pages = "2980–2986",
	collection = "nucleic acid intercalation",
	doi = "10.1093/nar",
	year = 2002
}

@Article{2002-Bisogno-PM,
	Author = "Tiziana Bisogno and Luciano {De Petroceliis} and Vincenzo {Di Marzo}",
	Title = "{Fatty acid amide hydrolase, an enzyme with many bioactive substrates. Possible therapeutic implications}",
	Journal = "Curr. Pharm. Design",
	Volume = "8",
	Pages = "533–547",
	collection = "enzymes",
	year = 2002
}

@Article{2002-Boker-EHKLZUAMK,
	Author = "Alexander Böker and H. Elbs and Helmut Hansel and A. Knoll and Sabine Ludwigs and Heiko Zettl and Volker Urban and V. Arbetz and A. H. E. Muller and Georg Krausch",
	Title = "{Microscopic mechanisms of electric-field-induced alignment of block copolymer microdomains}",
	Journal = "Phys. Rev. Lett.",
	Volume = "89",
	Number = "13",
	Pages = "135502",
	collection = "block copolymers",
	year = 2002
}

@Article{2002-Boys-Bernardi,
	Author = "S. Francis Boys and Fernando Bernardi",
	Title = "{The calculation of small molecular interactions by the differences of separate total energies. {S}ome procedures with reduced errors ({R}eprinted from {M}olecular {P}hysics, vol 19, pg 553-566, 1970)}",
	Journal = "Mol. Phys.",
	Volume = "100",
	Number = "1",
	Pages = "65 – 73",
	collection = "basis set superposition",
	doi = "10.1080/00268970110088901",
	keywords = "basis set superposition error",
	rating = "3",
	year = 2002
}

@Article{2002-Bracey-HMSC,
	Author = "Michael H. Bracey and Michael A. Hanson and Kim R. Masuda and Raymond C. Stevens and Benjamin F. Cravatt",
	Title = "{Structural adaptations in a membrane enzyme that terminates endocannabinoid signaling}",
	Journal = "Science",
	Volume = "298",
	Pages = "1793–1796",
	collection = "enzymes",
	doi = "10.1126/science.1076535",
	year = 2002
}

@Article{2002-Bruice,
	Author = "Thomas C. Bruice",
	Title = "{A view at the millenium: the efficiency of enzymatic catalysis}",
	Journal = "Acc. Chem. Res.",
	Volume = "35",
	Number = "3",
	Pages = "139–148",
	collection = "enzymes",
	doi = "10.1021/ar0001665",
	year = 2002
}

@Article{2002-Coulson-Moult,
	Author = "Andrew F. W. Coulson and John Moult",
	Title = "{A unifold, mesofold and superfold model of protein fold use}",
	Journal = "Proteins: Structure, Function and Genetics",
	Volume = "46",
	Pages = "61–71",
	Note = "Puts forward the claim that alongside a regular exponential distribution of fold population there are unifolds (one sequence per fold) and superfolds (superfamilies).",
	cited = "66 (2013-9-03)",
	collection = "protein structure",
	doi = "10.1002/prot.10011",
	keywords = "protein folds",
	read = "2013-08-30",
	year = 2002
}

@Article{2002-DAmico-SV,
	Author = "Maria L. D'Amico and V. Paiotta and Fernando Secco and Marcella Venturini",
	Title = "{A kinetic study of the interacalation of ethidium bromide into poly(A)-poly(U)}",
	Journal = "J. Phys. Chem. B",
	Volume = "106",
	Pages = "12635–12641",
	collection = "nucleic acid intercalation",
	doi = "10.1021/jp025989l",
	year = 2002
}

@Article{2002-Dziekonski-SSL,
	Author = "Paweł Dziekoński and W. Andrzej Sokalski and Bartłomiej Szyja and Jerzy Leszczyński",
	Title = "{Physical nature of catalytic effects of Si->Al substitutions in ZMS-5 zeolite for propylene protonation reaction}",
	Journal = "Chem. Phys. Lett.",
	Volume = "364",
	Pages = "133–138",
	collection = "molecular catalysis",
	doi = "10.1016/S0009-2614(02)01280-0",
	year = 2002
}

@Article{2002-Fredrickson,
	Author = "Glenn H. Fredrickson",
	Title = "{Dynamics and rheology of inhomogeneous polymeric fluids: a complex Langevin approach}",
	Journal = "J. Chem. Phys.",
	Volume = "117",
	Number = "14",
	Pages = "6810–6820",
	collection = "polymers",
	doi = "10.1063/1.1505025",
	year = 2002
}

@Article{2002-Fredrickson-GD,
	Author = "Glenn H. Fredrickson and Venkat Ganesan and François Drolet",
	Title = "{Field-theoretic computer simulation methods for polymers and complex fluids}",
	Journal = "Macromolecules",
	Volume = "35",
	Pages = "16–39",
	collection = "polymers",
	doi = "10.1021/ma011515t",
	methods = "FTS",
	type = "Review",
	year = 2002
}

@Article{2002-Glotzer-Paul,
	Author = "Sharon C. Glotzer and Wolfgang Paul",
	Title = "{Molecular and mesoscale simulation methods for polymer materials}",
	Journal = "Ann. Rev. Mater. Res.",
	Volume = "32",
	Pages = "401–436",
	collection = "polymers",
	doi = "10.1146/annurev.matsci.32.010802.112213",
	rating = "2",
	read = "2011-04-06",
	year = 2002
}

@Article{2002-Gora-BRL,
	Author = "Robert W. Góra and Wojciech Bartkowiak and Szczepan Roszak and Jerzy Leszczyński",
	Title = "{A new theoretical insight into the nature of intermolecular interactions in the molecular crystal of urea}",
	Journal = "J. Chem. Phys.",
	Volume = "117",
	Number = "3",
	Pages = "1031–1039",
	cited = "15 (2005-04-13)",
	collection = "molecular crystals",
	doi = "10.1063/1.1482069",
	year = 2002
}

@Article{2002-Gudowska-Nowak-Weron,
	Author = "Ewa Gudowska-Nowak and Karina Weron",
	Title = "{Random walk models of electron tunneling in a fluctuating medium}",
	Journal = "Phys. Rev. E",
	Volume = "65",
	Pages = "011103",
	cited = "18 (2013-04-29)",
	collection = "statistics",
	doi = "10.1103/PhysRevE.65.011103",
	year = 2002
}

@aritlce{2002-Hanna-GS,
	author = "F. F. Hanna and Bo Gestblom and A. Soliman",
	cited = "13 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1016/S0167-7322(01)00284-7",
	journal = "J. Mol. Liquids",
	pages = "27–40",
	title = "{Dielectric relaxation study of alcohol/diol(s) mixtures}",
	volume = "95",
	year = 2002
}

@Article{2002-Haq,
	Author = "Ihtshamul Haq",
	Title = "{Part {II}: {T}he thermodynamics of drug-bipolymer interaction - {T}hermodynamics of drug-{DNA} interactions}",
	Journal = "Arch. Biochem. Biophys.",
	Volume = "403",
	Number = "1",
	Pages = "1 – 15",
	collection = "nucleic acid drugs",
	doi = "10.1016/S0003-9861(02)00202-3",
	year = 2002
}

@Article{2002-Hesselmann-Jansen,
	Author = "Andreas Heßelmann and Georg Jansen",
	Title = "{Intermolecular induction and exchange-induction energies from coupled-perturbed {Kohn-Sham} density functional theory}",
	Journal = "Chem. Phys. Lett.",
	Volume = "362",
	Number = "3-4",
	Pages = "319–325",
	collection = "molecular interactions",
	doi = "10.1016/S0009-2614(02)01097-7",
	year = 2002
}

@Article{2002-Hobza-Sponer,
	Author = "Pavel Hobza and Jiří Šponer",
	Title = "{Toward true {DNA} base-stacking energies: {MP2},
{CCSD(T)}, and complete basis set calculations}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "124",
	Number = "39",
	Pages = "11802–11808",
	collection = "stacking",
	doi = "10.1021/ja026759n",
	year = 2002
}

@Article{2002-Jasper-HTP,
	Author = "Ahren W. Jasper and Michael D. Hack and Donald G. Truhlar and Piotr Piecuch",
	Title = "{Coupled quasidiabatic potential energy surfaces for {LiFH}}",
	Journal = "J. Chem. Phys.",
	Volume = "116",
	Number = "19",
	Pages = "8353–8366",
	collection = "molecular reactions",
	doi = "10.1063/1.1463440",
	year = 2002
}

@Article{2002-Joubert-Popelier,
	Author = "Laurent Joubert and Paul L. A. Popelier",
	Title = "{The prediction of energies and geometries of hydrogen bonded {DNA} base-pairs via a topological electrostatic potential}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "4",
	Number = "18",
	Pages = "4353–4359",
	collection = "nucleic acid bases",
	doi = "10.1039/b204485d",
	year = 2002
}

@Article{2002-Jurlewicz-Weron,
	Author = "Agnieszka Jurlewicz and Karina Weron",
	Title = "{Relaxation of dynamically correlated clusters}",
	Journal = "J. Non-Crystalline Solids",
	Volume = "305",
	Pages = "112–121",
	cited = "35 (2013-04-29)",
	collection = "statistics",
	doi = "10.1016/S0022-3093(02)01087-6",
	year = 2002
}

@Article{2002-Kallberg-OJP,
	Author = "Yvonne Kallberg and Udo Oppermann and Hans Jörnvall AND Bengt Persson",
	Title = "{Short-chain dehydrogenase/reductase (SDR) relationships: a large family with eight clusters common to human, animal, and plant genomes}",
	Journal = "Protein Science",
	Volume = "11",
	Pages = "636–641",
	Note = "A good introduction to the SDR classes, with a table of 47 human SDRs.",
	cited = "116 (2013-09-09)",
	collection = "proteins",
	doi = "10.1110/ps.26902",
	rating = "2",
	read = "2013-09-09",
	system = "SDR",
	year = 2002
}

@Article{2002-Knoll-HLKSZM,
	Author = "A. Knoll and A. Horvat and Kateryna S. Lyakhova and Georg Krausch and G. J. Agur Sevink and Andrei V. Zvelindovsky and R. Magerle",
	Title = "{Phase Behavior in Thin Films of {Cylinder-Forming} Block Copolymers}",
	Journal = "Phys. Rev. Lett.",
	Volume = "89",
	Number = "3",
	Pages = "035501",
	collection = "block copolymers",
	doi = "10.1103/PhysRevLett.89.035501",
	keywords = "block copolymers; thin films",
	year = 2002
}

@Article{2002-Krasteva-BSBMYV,
	Author = "Nadejda Krasteva and Isabelle Besnard and Berit Guse and Roland E. Bauer and Klaus Müllen and Akio Yasuda and Tobias Vossmeyer",
	Title = "{Self-assembled gold nanoparticle-dendrimer composite films for vapor sensing applications}",
	Journal = "Nano Lett.",
	Volume = "2",
	Pages = "551–555",
	collection = "nanotechnology",
	doi = "10.1021/nl020242s",
	keywords = "self-assembly; dendrimers",
	year = 2002
}

@Article{2002-Krautbauer-FAG,
	Author = "Rupert Krautbauer and Stefan Fischerländer and Stephanie Allen and Hermann E. Gaub",
	Title = "{Mechanical fingerprints of DNA drug complexes}",
	Journal = "Single Mol.",
	Volume = "3",
	Number = "2-3",
	Pages = "97–103",
	collection = "nucleic acid drugs",
	doi = "10.1002/1438-5171(200206)3:2",
	year = 2002
}

@Article{2002-Krautbauer-PSAG,
	Author = "Rupert Krautbauer and Lisa H. Pope and Tobias E. Schrader and Stephanie Allen and Hermann E. Gaub",
	Title = "{Discriminating small molecule {DNA} binding modes by single molecule force spectroscopy}",
	Journal = "FEBS Letters",
	Volume = "510",
	Number = "3",
	Pages = "154 – 158",
	collection = "nucleic acid drugs",
	doi = "10.1016/S0014-5793(01)03257-4",
	year = 2002
}

@Article{2002-Kyrylyuk-ZSF,
	Author = "A. V. Kyrylyuk and Andrei V. Zvelindovsky and G. J. Agur Sevink and Johannes G. E. M. Fraaije",
	Title = "{Lamellar Alignment of Diblock Copolymers in an Electric Field}",
	Journal = "Macromolecules",
	Volume = "35",
	Number = "4",
	Pages = "1473–1476",
	collection = "block copolymers",
	doi = "10.1021/ma0110756",
	keywords = "alignment",
	year = 2002
}

@Article{2002-Lee-TJB,
	Author = "Jae Youn Lee and Russell B. Thompson and David Jasnow and Anna C. Balazs",
	Title = "{Effect of nanoscopic particles on the mesophase structure of diblock copolymers}",
	Journal = "Macromolecules",
	Volume = "35",
	Pages = "4855–4858",
	Note = "Shows phase diagrams as a function of particle size and affinity toward one BCP phase.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma0200266",
	keywords = "block copolymers; mesophase transitions; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SCFT/DFT",
	year = 2002
}

@Article{2002-Lee-TJB-1,
	Author = "Jae Youn Lee and Russell B. Thompson and David Jasnow and Anna C. Balazs",
	Title = "{Entropically driven formation of hierarchically ordered nanocomposites}",
	Journal = "Phys. Rev. Lett.",
	Volume = "89",
	Number = "15",
	Pages = "155503",
	Note = "Similar to article by same authors in Macromolecules in same year, but with bidisperse populations.",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevLett.89.155503",
	keywords = "block copolymers; nanospheres; polymer nanocomposites",
	methods = "SCFT/DFT",
	rating = "2",
	read = "2012-03-21",
	year = 2002
}

@Article{2002-Lopez-MGM,
	Author = "Jos Luis Lopez and Marcos Mandado and Ana M. Grana and Ricardo A. Mosquera",
	Title = "{Approximate transferability in alkanenitriles}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "86",
	Number = "2",
	Pages = "190–198",
	collection = "molecular fragmentation",
	doi = "10.1002/qua.1624",
	year = 2002
}

@Article{2002-Matsen,
	Author = "Mark W. Matsen",
	Title = "{The standard Gaussian model for block copolymer melts}",
	Journal = "J. Phys.: Condens. Matter",
	Volume = "14",
	Pages = "R21–R47",
	collection = "polymers",
	keywords = "block copolymers",
	year = 2002
}

@Article{2002-Matta-Bader,
	Author = "Chérif F. Matta and Richard F. W. Bader",
	Title = "{Atoms-in-molecules study of the genetically encoded amino acids. {II.} Computational study of molecular geometries}",
	Journal = "Proteins",
	Volume = "48",
	Number = "3",
	Pages = "519–538",
	collection = "protein amino acids",
	doi = "10.1002/prot.10170",
	year = 2002
}

@Article{2002-Menger,
	Author = "Frederic M. Menger",
	Title = "{Supramolecular chemistry and self-assembly}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "99",
	Number = "8",
	Pages = "4818–4822",
	collection = "molecular interactions",
	doi = "10.1073/pnas.062524299",
	shorttitle = "Supramolecular Chemistry And Self-assembly Special Feature",
	year = 2002
}

@Article{2002-Morita-KDYTH,
	Author = "Hiroshi Morita and Toshihiro Kawakatsu and Masao Doi and Daisuke Yamaguchi and Mikihito Takenaka and Takeji Hashimoto",
	Title = "{Competition between micro- and macrophase separations in a binary mixture of block copolymers. A dynamic density functional study}",
	Journal = "Macromolecules",
	Volume = "35",
	Pages = "7473–7480",
	collection = "block copolymers",
	doi = "10.1021/ma0203997",
	keywords = "block copolymers",
	year = 2002
}

@Article{2002-Mui-THSLWCMMMS,
	Author = "S. C. Mui and P. E. Trapa and B. Huang and Philip P. Soo and M. I. Lozow and T. C. Wang and R. E. Cohen and A. N. Mansour and S. Mukerjee and Anne M. Mayes and Donald R. Sadoway",
	Title = "{Block copolymer-templated nanocomposite electrodes for rechargeable litium matteries}",
	Journal = "J. Electrochem. Soc.",
	Volume = "149",
	Number = "12",
	Pages = "A1610–A1615",
	collection = "block copolymer nanocomposites",
	doi = "10.1149/1.1518482",
	keywords = "block copolymers; polymer nanocomposites",
	year = 2002
}

@Article{2002-Muller-Plathe,
	Author = "Florian Müller-Plathe",
	Title = "{Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back}",
	Journal = "ChemPhysChem",
	Volume = "3",
	Pages = "754–769",
	collection = "coarse graining",
	doi = "10.1002/1439-7641(20020916)3:9",
	keywords = "coarse graining; polymers",
	type = "Review",
	year = 2002
}

@Article{2002-Murdachaew-SB,
	Author = "Garold Murdachaew and Krzysztof Szalewicz and Robert Bukowski",
	Title = "{Efficient generation of flexible-monomer intermolecular potential energy surfaces}",
	Journal = "Phys. Rev. Lett.",
	Volume = "88",
	Number = "12",
	Pages = "123202",
	collection = "molecular interactions",
	doi = "10.1103/PhysRevLett.88.123202",
	year = 2002
}

@Article{2002-Noguchi-Takasu,
	Author = "Hiroshi Noguchi and Masako Takasu",
	Title = "{Adhesion of nanoparticles to vesicles: a Brownian dynamics simulation}",
	Journal = "Biophys. J.",
	Volume = "83",
	Pages = "299–308",
	collection = "lipid bilayers",
	doi = "10.1016/S0006-3495(02)75170-9",
	keywords = "biological nanocomposites; lipid bilayers; nanospheres",
	methods = "CG BD",
	year = 2002
}

@Article{2002-Oxtoby,
	Author = "David A. Oxtoby",
	Title = "{Density functional methods in the statistical mechanics of materials}",
	Journal = "Ann. Rev. Mater. Res.",
	Volume = "32",
	Pages = "39–52",
	collection = "polymers",
	doi = "10.1146/annurev.matsci.32.100401.103425",
	year = 2002
}

@Article{2002-Politzer-LC,
	Author = "Peter Politzer and Pat Lane and Monica C. Concha",
	Title = "{Atomic and molecular energies in terms of electrostatic potentials at nuclei}",
	Journal = "Int. J. Quant. Chem.",
	Number = "90",
	Pages = "459–463",
	collection = "quantum chemistry",
	doi = "10.1002/qua.10105",
	year = 2002
}

@Article{2002-Reha-KRSSESH,
	Author = "David Řeha and Martin Kabeláč and Filip Ryjáček and Jiří Šponer and Judit E. Šponer and Marcus Elstner and Sándor Suhai and Pavel Hobza",
	Title = "{{Intercalators. 1. {N}ature of stacking interactions between intercalators (ethidium, daunomycin, ellipticine, and 4 ',6-diaminide-2-phenylindole) and {DNA} base pairs. {A}b initio quantum chemical, density functional theory, and empirical potential study}1}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "124",
	Number = "13",
	Pages = "3366–3376",
	cited = "43 (2005-04-13)",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja011490d",
	keywords = "nucleic acid intercalation; aromatic stacking",
	year = 2002
}

@Article{2002-Rhodes-IRMTIT,
	Author = "David A. Rhodes and Gudrun Ihrke and Anna T. Reinicke and Georg Malcherek and Michael Towey and David A. Isenberg and John Trowsdale",
	Title = "{The 52 000 MW Ro/SS-A autoantigen in Sjögren's syndrom - systemic lupus erythematosus (Ro52) is an interferon-gamma inducible tripartite motif protein associated with membrane proximal structures}",
	Journal = "Immunology",
	Volume = "106",
	Pages = "246–256",
	collection = "cells",
	year = 2002
}

@Article{2002-Scerri,
	Author = "Eric R. Scerri",
	Title = "{Have orbitals really been observed?}",
	Journal = "J. Chem. Ed.",
	Volume = "79",
	Number = "3",
	Pages = "310",
	collection = "philosophy",
	doi = "10.1021/ed079p310.1",
	year = 2002
}

@Article{2002-Schmidt-Fuchs,
	Author = "Matthias Schmidt and Matthias Fuchs",
	Title = "{Penetrability in model colloid–polymer mixtures}",
	Journal = "J. Chem. Phys.",
	Volume = "117",
	Number = "13",
	Pages = "6308–6312",
	collection = "polymer nanocomposites",
	keywords = "polymer nanocomposites",
	year = 2002
}

@Article{2002-Sponer-LH,
	Author = "Jiří Šponer and Jerzy Leszczyński and Pavel Hobza",
	Title = "{Electronic properties, hydrogen bonding, stacking, and cation binding of {DNA} and {RNA} bases}",
	Journal = "Biopolymers",
	Volume = "61",
	Number = "1",
	Pages = "3–31",
	collection = "nucleic acid bases",
	doi = "10.1002/1097-0282(2001)61:1",
	year = 2002
}

@Article{2002-Stone-Alderton,
	Author = "Anthony J. Stone and M. Alderton",
	Title = "{Distributed multipole analysis: methods and applications}",
	Journal = "Mol. Phys.",
	Volume = "100",
	Number = "1",
	Pages = "221–233",
	collection = "molecular electrostatics",
	doi = "10.1080/00268970110089432",
	keywords = "multipole expansion",
	year = 2002
}

@Article{2002-Sudo-SKY,
	Author = "Seiichi Sudo and Naoki Shinyashiki and Yusuke Kitsuki and Shin Yagihara",
	Title = "{Dielectric relaxation time and relxation time distribution of alcohol-water mixtures}",
	Journal = "J. Phys. Chem. A",
	Volume = "106",
	Pages = "458–464",
	cited = "64 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1021/jp013117y",
	year = 2002
}

@Article{2002-Suppa-KBY,
	Author = "Domenico Suppa and Olga Kuksenok and Anna C. Balazs and J. M. Yeomans",
	Title = "{Phase separation of a binary fluid in the presence of immobile particles: a lattice Boltzmann approach}",
	Journal = "J. Chem. Phys.",
	Volume = "116",
	Number = "14",
	Pages = "6305–6310",
	collection = "interfaces",
	doi = "10.1063/1.1460863",
	keywords = "binary fluids; suspensions",
	methods = "LB",
	year = 2002
}

@Article{2002-Szefczyk-SL,
	Author = "Borys Szefczyk and W. Andrzej Sokalski and Jerzy Leszczyński",
	Title = "{Optimal methods for calculation of the amount of intermolecular electron transfer}",
	Journal = "J. Chem. Phys.",
	Volume = "117",
	Number = "15",
	Pages = "6952–6958",
	collection = "molecular fragmentation",
	doi = "10.1063/1.1508367",
	year = 2002
}

@Article{2002-Thompson-GMB,
	Author = "Russell B. Thompson and Valeriy V. Ginzburg and Mark W. Matsen and Anna C. Balazs",
	Title = "{Block copolymer-directed assembly of nanoparticles: forming mesoscopically ordered hybrid materials}",
	Journal = "Macromolecules",
	Volume = "35",
	Pages = "1060–1071",
	Note = "Describes the SCFT/DFT combination, demonstrates some 1D, 2D and 3D configurations and discusses possible extensions.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma011563d",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SCFT/DFT",
	year = 2002
}

@Article{2002-Thompson-LJB,
	Author = "Russell B. Thompson and Jae Youn Lee and David Jasnow and Anna C. Balazs",
	Title = "{Binary hard sphere mixtures in block copolymer melts}",
	Journal = "Phys. Rev. E",
	Volume = "66",
	Pages = "031801",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevE.66.031801",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polydispersity; polymer nanocomposites",
	methods = "SCFT/DFT",
	year = 2002
}

@Article{2002-Tsai-MN,
	Author = "Chung-Jung Tsai and Jr. {Jacob V. Maizel} and Ruth Nussinov",
	Title = "{The hydrophobic effect: a new insight from cold denaturation and a two-state water structure}",
	Journal = "Crit. Rev. Biochem. Mol. Biol.",
	Volume = "37",
	Number = "2",
	Pages = "55–69",
	cited = "52 (2013-04-29)",
	collection = "protein structure",
	doi = "10.1080/10409230290771456",
	keywords = "hydrophobic effect; protein folding",
	year = 2002
}

@Article{2002-Tschumper-LHVIQ,
	Author = "Gregory S. Tschumper and Matthew L. Leininger and Brian C. Hoffman and Edward F. Valeev and {Henry F. III} Schaefer and Martin Quack",
	Title = "{Anchoring the water dimer potential energy surface with explicitly correlated computations and focal point analyses}",
	Journal = "J. Chem. Phys.",
	Volume = "116",
	Number = "2",
	Pages = "690 – 701",
	collection = "hydrogen bonding",
	doi = "10.1063/1.1408302",
	methods = "CCSD(T)",
	systems = "water dimer",
	year = 2002
}

@Article{2002-Tsori-Andelman,
	Author = "Yoav Tsori and David Andelman",
	Title = "{Thin film diblock copolymers in electric field: transition from perpendicular to parallel lamellae}",
	Journal = "Macromolecules",
	Volume = "35",
	Pages = "5161–5170",
	collection = "block copolymers",
	keywords = "block copolymers; electric fields; mesophase transitions",
	rating = "2",
	year = 2002
}

@Article{2002-Tsuzuki-HUMT,
	Author = "Seiji Tsuzuki and Kazumasa Honda and Tadafumi Uchimaru and Masuhiro Mikami and K. Tanabe",
	Title = "{Origin of Attraction and Directionality of the π/π Interaction: Model Chemistry Calculations of Benzene Dimer Interaction}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "124",
	Number = "1",
	Pages = "104–112",
	collection = "stacking",
	doi = "10.1021/ja0105212",
	year = 2002
}

@Article{2002-Voter-MG,
	Author = "Arthur F. Voter and Francesco Montalenti and Timothy C. Germann",
	Title = "{Extending the time scale in atomistic simulation of materials}",
	Journal = "Ann. Rev. Mater. Res.",
	Volume = "32",
	Pages = "321–346",
	collection = "molecular dynamics",
	doi = "10.1146/annurev.matsci.32.112601.141541",
	year = 2002
}

@Article{2002-Wang,
	Author = "James C. Wang",
	Title = "{Cellular roles of {DNA} topoisomerases: {A} molecular perspective}",
	Journal = "Nat. Rev. Mol. Cell Biol.",
	Volume = "3",
	Number = "6",
	Pages = "430 – 440",
	collection = "nucleic acids",
	doi = "10.1038/nrm831",
	year = 2002
}

@Article{2002-Waters,
	Author = "Marcey L. Waters",
	Title = "{Aromatic interactions in model systems}",
	Journal = "Curr. Op. Chem. Biol.",
	Volume = "6",
	Number = "6",
	Pages = "736–741",
	collection = "stacking",
	doi = "10.1016/S1367-5931(02)00359-9",
	year = 2002
}

@Article{2003-Aikens-WBFSG,
	Author = "Christine M. Aikens and Simon P. Webb and Rob L. Bell and Graham D. Fletcher and Michael W. Schmidt and Mark S. Gordon",
	Title = "{A derivation of the frozen-orbital unrestricted open-shell and restricted closed-shell second-order perturbation theory analytic gradient expressions}",
	Journal = "Theor. Chem. Acc.",
	Volume = "110",
	Pages = "233–253",
	collection = "quantum chemistry",
	doi = "10.1007/s00214-003-0453-3",
	year = 2003
}

@Article{2003-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Letter to the editor: Quantum mechanics, or orbitals?}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "94",
	Number = "3",
	Pages = "173–177",
	collection = "philosophy",
	doi = "10.1002/qua.10627",
	shorttitle = "Letter to the editor",
	year = 2003
}

@Article{2003-Bedrov-SS,
	Author = "Dmitry Bedrov and Grant D. Smith and James S. Smith",
	Title = "{Matrix-induced nanoparticle interactions in a polymer melt: a molecular dynamics simulations study}",
	Journal = "J. Chem. Phys.",
	Volume = "119",
	Number = "19",
	Pages = "10438",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.1615965",
	year = 2003
}

@Article{2003-Bockstaller-LMT,
	Author = "Michael R. Bockstaller and Yonit Lapetnikov and Shlomo Margel and Edwin L. Thomas",
	Title = "{Size-selective organization of enthalpic compatabilized nanocrystals in ternary block copolymer/particle mixtures}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "125",
	Pages = "5276–5277",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ja034523t",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "absorbance, DLS, TEM",
	systems = "Au@PS-PEP, silica@PS-PEP",
	year = 2003
}

@Article{2003-Bockstaller-Thomas,
	Author = "Michael R. Bockstaller and Edwin L. Thomas",
	Title = "{Optical properties of polymer-based photonic nanocomposite materials}",
	Journal = "J. Phys. Chem. B",
	Volume = "107",
	Pages = "10017–10024",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/jp035286j",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; optical properties; polymer architecture; polymer nanocomposites",
	methods = "profilometry, reflectance, absorbance, ellipsometry, SAXS, TEM",
	systems = "Au-PS@PS-PEP",
	year = 2003
}

@Article{2003-Boker-EHKLZZSUAMK,
	Author = "Alexander Böker and H. Elbs and Helmut Hansel and A. Knoll and Sabine Ludwigs and Heiko Zettl and Andrei V. Zvelindovsky and G. J. Agur Sevink and Volker Urban and Volker Abetz and A. H. E. Muller and Georg Krausch",
	Title = "{Electric Field Induced Alignment of Concentrated Block Copolymer Solutions}",
	Journal = "Macromolecules",
	Volume = "36",
	Number = "21",
	Pages = "8078–8087",
	collection = "block copolymers",
	doi = "10.1021/ma021347k",
	keywords = "block copolymers; electric fields; mesophase transitions",
	year = 2003
}

@Article{2003-Bolhuis-ML,
	Author = "Peter G. Bolhuis and Evert Jan Meijer and Ard A. Louis",
	Title = "{Colloid–polymer mixtures in the protein limit}",
	Journal = "Phys. Rev. Lett.",
	Volume = "90",
	Number = "6",
	Pages = "068304",
	collection = "polymers",
	doi = "10.1103/PhysRevLett.90.068304",
	year = 2003
}

@Article{2003-Brown-MMA,
	Author = "D. Brown and P. Mele and S. Marceau and N. D. Alberola",
	Title = "{A molecular dynamics study of a model nanoparticle embedded in a polymer matrix}",
	Journal = "Macromolecules",
	Volume = "36",
	Pages = "1395–1406",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma020951s",
	keywords = "nanospheres; polymer nanocomposites",
	year = 2003
}

@Article{2003-Buxton-Balazs,
	Author = "Gavin A. Buxton and Anna C. Balazs",
	Title = "{Simulating the morphology and mechanical properties of filled diblock copolymers}",
	Journal = "Phys. Rev. E",
	Volume = "67",
	Pages = "031802",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevE.67.031802",
	keywords = "block copolymers; mechanical properties; nanospheres; polymer nanocomposites",
	methods = "CDS/BD",
	year = 2003
}

@Article{2003-Buxton-LB,
	Author = "Gavin A. Buxton and Jae Youn Lee and Anna C. Balazs",
	Title = "{Computer simulation of morphologies and optical properties of filled diblock copolymers}",
	Journal = "Macromolecules",
	Volume = "36",
	Pages = "9631–9637",
	Note = "Besides describing SCFT/DFT, has some sensible observations. Page 9632: If the particle radius is beyond the root-mean-squared end-to-end distance of the chain, it may be more appropriate to view a particle as a substrate (...). If the particle is on the smae size scale as a monomer, then it may be sufficient to treat the particle as a solvent molecule. Ref.20: There is a fundamental reason why the polymer-particle interactions should be treated differently than the particle-particle interactions. (...) In real systems, the nanoparticles are solids and impenetrable to each other.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma034322",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; optical properties; polymer nanocomposites",
	methods = "SCFT/DFT, finite elements",
	year = 2003
}

@Article{2003-Chen-HB,
	Author = "Ting Chen and Glenn Hefter and Richard Buchner",
	Title = "{Dielectric spectroscopy of squeous solutions of KCl and CsCl}",
	Journal = "J. Phys. Chem. A",
	Volume = "107",
	Pages = "4025–4031",
	cited = "39 (2003-04-29)",
	collection = "molecular sovlation",
	doi = "10.1021/jp026429p",
	year = 2003
}

@Article{2003-Dziekonski-SPL,
	Author = "Paweł Dziekoński and W. Andrzej Sokalski and Yevgeniy Podolyan and Jerzy Leszczyński",
	Title = "{Nonempirical analysis of the catalytic activity of the molecular environment: optimal static and dynamic catalytic fields for double proton transfer in formamide-formamidine complex}",
	Journal = "Chem. Phys. Lett.",
	Volume = "367",
	Pages = "367–375",
	collection = "molecular solvation",
	doi = "10.1016/S0009-2614(02)01712-8",
	year = 2003
}

@Article{2003-Eckel-RRWSA,
	Author = "Rainer Eckel and Robert Ros and Alexandra Ros and Sven David Wilking and Norbert Sewald and Dario Anselmetti",
	Title = "{Identification of Binding Mechanisms in Single {Molecule-DNA} Complexes}",
	Journal = "Biophys. J.",
	Volume = "85",
	Number = "3",
	Pages = "1968–1973",
	collection = "nucleic acid drugs",
	doi = "10.1016/S0006-3495(03)74624-4",
	year = 2003
}

@Article{2003-Fraaije-Sevink,
	Author = "Johannes G. E. M. Fraaije and G. J. Agur Sevink",
	Title = "{Model for pattern formation in polymer surfactant nanodroplets}",
	Journal = "Macromolecules",
	Volume = "36",
	Number = "21",
	Pages = "7891–7893",
	collection = "block copolymers",
	doi = "10.1021/ma025559t",
	keywords = "block copolymers; nanoconfinement",
	year = 2003
}

@Article{2003-Frenking,
	Author = "Gernot Frenking",
	Title = "{Book Review: Chemical Bonding and Molecular Geometry From Lewis to Electron Densities. By Ronald J. Gillespie and Paul L. A. Popelier}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "42",
	Number = "2",
	Pages = "143–147",
	collection = "philosophy",
	doi = "10.1002/anie.200390069",
	year = 2003
}

@Article{2003-George-Sastry,
	Author = "John George and Nandhibatla V. Sastry",
	Title = "{Densities, dynamic viscosities, speeds of sound, and relative permittivities for water + alkanediols (propane-1,2- and -1,3-diol and butane-1,2-, -1,3-, -1,4-, and -2,3-diol) at different demperatures}",
	Journal = "J. Chem. Eng. Data",
	Volume = "48",
	Pages = "1529–1539",
	cited = "57 (2013-04-29)",
	collection = "molecular dovlation",
	doi = "10.1021/je0340755",
	year = 2003
}

@InProceedings{2003-Ghemawat-GL,
	Author = "Sanjay Ghemawat and Howard Gobioff and Shun-Tak Leung",
	Title = "{The Google File System}",
	BookTitle = "{Proceedings of the 19th ACM Symposium on Operating Systems Principles}",
	Pages = "20–43",
	Publisher = "ACM",
	collection = "infromatics",
	keywords = "big data",
	rating = "2",
	read = "2013-06-15",
	year = 2003
}

@Article{2003-Guillot-MALH,
	Author = "Benoit Guillot and Nicolas Muzet and Emilio Artacho and Claude Lecomte and Christan Helsch",
	Title = "{Experimental and theoretical electron density studies in large molecules: {NAD+}, beta-nicotinamide adenine dinucleotide}",
	Journal = "J. Phys. Chem. B",
	Volume = "107",
	Pages = "9109–9121",
	collection = "molecular crystals",
	doi = "10.1021/jp034478b",
	year = 2003
}

@Article{2003-Hesselmann-Jansen,
	Author = "Andreas Heßelmann and Georg Jansen",
	Title = "{Intermolecular dispersion energies from time-dependent density functional theory}",
	Journal = "Chem. Phys. Lett.",
	Volume = "367",
	Pages = "778–784",
	collection = "molecular interactions",
	doi = "10.1016/S0009-2614(02)01796-7",
	systems = "He2, Ne2, Ar2, NeAr, NeHF, ArHF, dihydrogen dimer, HF dimer, water dimer",
	year = 2003
}

@Article{2003-Hill-FHLSL,
	Author = "Glake Hill and G. Forde and N. Hill and William A. Lester and W. Andrzej Sokalski and Jerzy Leszczyński",
	Title = "{Interaction energies in stacked {DNA} bases? how important are electrostatics?}",
	Journal = "Chem. Phys. Lett.",
	Volume = "381",
	Number = "5-6",
	Pages = "729–732",
	collection = "stacking",
	doi = "10.1016/j.cplett.2003.09.076",
	year = 2003
}

@Article{2003-Huetz-RG,
	Author = "Philippe Huetz and Christophe Ramseyer and Claude Girardet",
	Title = "{Ab initio study of the influence of conformation on partial charge distribution of dioctadecylamine}",
	Journal = "Chem. Phys. Lett.",
	Volume = "380",
	Number = "3-4",
	Pages = "424–434",
	collection = "molecular fragmentation",
	doi = "10.1016/j.cplett.2003.09.059",
	year = 2003
}

@Article{2003-Jensen-JRBPKB,
	Author = "Torben R. Jensen and Morten Ø. Jensen and Niels Reitzel and Konstantin Balashev and Gunther H. Peters and KRistian Kjaer and Thomas Bjørnholm",
	Title = "{Water in contact with extended hydrophobic surfaces: direct evidence of weak dewetting}",
	Journal = "Phys. Rev. Lett.",
	Volume = "90",
	Number = "8",
	Pages = "086101",
	cited = "85 (2013-04-29)",
	collection = "interfaces",
	doi = "10.1103/PhysRevLett.90.086101",
	year = 2003
}

@Article{2003-Jesus-RLR,
	Author = "A. J. Lopes Jesus and Mario T. S. Rosado and M. Luisa P. Leitao and Jose S. Redinha",
	Title = "{Molecular structure of butanediol isomers in gas and liquid states: combination of DFT calculations and infrared spectroscopy studies}",
	Journal = "J. Phys. Chem. A",
	Volume = "107",
	Pages = "391–3897",
	cited = "23 (2013-04-29)",
	collection = "molecular structure",
	doi = "10.1021/jp027123l",
	year = 2003
}

@Article{2003-Jonscher-JW,
	Author = "Andrew J. Jonscher and Agnieszka Jurlewicz and Karina Weron",
	Title = "{Stochastic schemes of dielectric relaxation in correlated-cluster systems}",
	Journal = "Contemporary Physics",
	Volume = "44",
	Number = "4",
	Pages = "329–339",
	cited = "30 (2013-04-29)",
	collection = "statistics",
	doi = "10.1080/0010751031000077369",
	year = 2003
}

@Article{2003-Jurecka-Hobza,
	Author = "Petr Jurečka and Pavel Hobza",
	Title = "{True Stabilization Energies for the Optimal Planar {Hydrogen-Bonded} and Stacked Structures of {Guanine···Cytosine,} {Adenine···Thymine,} and Their 9- and {1-Methyl} Derivatives: Complete Basis Set Calculations at the {MP2} and {CCSD(T)} Levels and Comparison with Experiment}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "125",
	Number = "50",
	Pages = "15608–15613",
	collection = "stacking",
	doi = "10.1021/ja036611j",
	shorttitle = "True Stabilization Energies for the Optimal Planar {Hydrogen-Bonded} and Stacked Structures of {Guanine···Cytosine,} {Adenine···Thymine,} and Their 9- and {1-Methyl} Derivatives",
	year = 2003
}

@Article{2003-Lee-SB,
	Author = "Jae Youn Lee and Zhenyu Shou and Anna C. Balazs",
	Title = "{Predicting the morphologies of confined copolymer-nanoparticle mixtures}",
	Journal = "Macromolecules",
	Volume = "36",
	Pages = "7730–7739",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma034765d",
	keywords = "alignment; block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites; thin films",
	methods = "SCFT/DFT",
	year = 2003
}

@Article{2003-Lee-SB-1,
	Author = "Jae Youn Lee and Zhenyu Shou and Anna C. Balazs",
	Title = "{Modeling the self-assembly of copolymer-nanoparticle mixtures confined between solid surfaces}",
	Journal = "Phys. Rev. Lett.",
	Volume = "91",
	Number = "3",
	Pages = "136103",
	Note = "Demonstrates BCP lamellae between two hard walls with nonselective cubic particles at interfaces.",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevLett.91.136103",
	keywords = "alignment; block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SCFT/DFT",
	year = 2003
}

@Article{2003-Legeza-RH,
	Author = "Ö. Legeza and J. Röder and B. A. Hess",
	Title = "{{QC-DMRG} - study of the ionic–neutral curve crossing of {LiF}}",
	Journal = "Mol. Phys.",
	Volume = "101",
	Number = "13",
	Pages = "2019",
	collection = "molecular reactions",
	doi = "10.1080/0026897031000155625",
	keywords = "reactions",
	methods = "QC-DMRG",
	systems = "LiF",
	year = 2003
}

@Article{2003-Liem-Popelier,
	Author = "S. Y. Liem and Paul L. A. Popelier",
	Title = "{High-rank quantum topological electrostatic potential: Molecular dynamics simulation of liquid hydrogen fluoride}",
	Journal = "J. Chem. Phys.",
	Volume = "119",
	Number = "8",
	Pages = "4560–4566",
	collection = "molecular electrostatics",
	doi = "10.1063/1.1593012",
	shorttitle = "High-rank quantum topological electrostatic potential",
	year = 2003
}

@Article{2003-Matta,
	Author = "Chérif F. Matta",
	Title = "{Application of the quantum theory of atoms in molecules to selected physico-chemical and biophysical problems: Focus on correlation with experiment}",
	Journal = "J. Comp. Chem.",
	Volume = "24",
	Number = "4",
	Pages = "453–463",
	collection = "protein amino acids",
	doi = "10.1002/jcc.10208",
	methods = "QTAIM",
	year = 2003
}

@Article{2003-Matta-Bader,
	Author = "Chérif F. Matta and Richard F. W. Bader",
	Title = "{{Atoms-in-molecules study of the genetically encoded amino acids. {III.} Bond and atomic properties and their correlations with experiment including mutation-induced changes in protein stability and genetic coding}34 (}",
	Journal = "Proteins",
	Volume = "52",
	Number = "3",
	Pages = "360–399",
	collection = "protein amino acids",
	doi = "10.1002/prot.10414",
	year = 2003
}

@Article{2003-McCauliffe-Wozniacka,
	Author = "Daniel P. MacCauliffe and Anna Woźniacka",
	Title = "{52 kD Ro/SS-A localizes to punctuate structures in the cytoplasm of epithelial cells}",
	Journal = "Cell. Mol. Biol. Lett.",
	Volume = "8",
	Pages = "133–140",
	collection = "cells",
	year = 2003
}

@Article{2003-McDowell,
	Author = "Sean A. C. McDowell",
	Title = "{A computational study of the LiH dimer}",
	Journal = "J. Comp. Chem.",
	Volume = "24",
	Pages = "1201–1207",
	collection = "hydrogen bonding",
	doi = "10.1002/jcc.10281",
	year = 2003
}

@Article{2003-McKinney-Cravatt,
	Author = "Michele K. McKinney and Benjamin F. Cravatt",
	Title = "{Evidence for distinct roles in catalysis for residues of the serine-serine-lysine catalytic triad of fatty acid amide hydrolase}",
	Journal = "J. Biol. Chem.",
	Volume = "278",
	Number = "39",
	Pages = "37393–37399",
	collection = "enzymes",
	doi = "10.1074/jbc.M303922200",
	keywords = "active site",
	year = 2003
}

@Article{2003-Metropoulos-PM,
	Author = "Aristophanes Metropoulos and Aristotle Papakondylis and Aristides Mavridis",
	Title = "{Ab initio investigation of the ground state properties of {PO,} {PO[sup} +], and {PO[sup} -]}",
	Journal = "J. Chem. Phys.",
	Volume = "119",
	Number = "12",
	Pages = "5981–5987",
	collection = "molecular reactions",
	doi = "10.1063/1.1599341",
	year = 2003
}

@Article{2003-Meyer-CD,
	Author = "Emmanuel A. Meyer and Ronald K. Castellano and François Diederich",
	Title = "{Interactions with Aromatic Rings in Chemical and Biological Recognition}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "42",
	Number = "11",
	Pages = "1210–1250",
	collection = "stacking",
	doi = "10.1002/anie.200390319",
	year = 2003
}

@Article{2003-Mierzwicki-Latajka,
	Author = "Krzysztof Mierzwicki and Zdzisław Latajka",
	Title = "{Basis set superposition error in N-body clusters}",
	Journal = "Chem. Phys. Lett.",
	Volume = "380",
	Pages = "654–664",
	collection = "basis set superposition",
	doi = "10.1016/j.cplett.2003.09.038",
	keywords = "basis set superposition error",
	year = 2003
}

@Article{2003-Misquitta-JS,
	Author = "Alston J. Misquitta and Bogumił Jeziorski and Krzysztof Szalewicz",
	Title = "{Dispersion energy from density-functional theory description of monomers}",
	Journal = "Phys. Rev. Lett.",
	Volume = "91",
	Number = "3",
	Pages = "033201",
	collection = "molecular interactions",
	doi = "10.1103/PhysRevLett.91.033201",
	year = 2003
}

@Article{2003-Nakatani-HMHS,
	Author = "Kazuhiko Nakatani and Souta Horie and Tadashi Murase and Shinya Hagihara and Isao Saito",
	Title = "{Assessment of the sequence dependency for the binding of 2-aminonaphthyridine to the guanine bulge}",
	Journal = "Bioorg. Med. Chem.",
	Volume = "11",
	Number = "10",
	Pages = "2347–2353",
	collection = "nucleic acid intercalation",
	doi = "10.1016/S0968-0896(03)00026-9",
	year = 2003
}

@Article{2003-Perez-Casas-HC,
	Author = "Silvia Pérez-Casas and Jesús Hernández-Trujillo and Miguel Costas",
	Title = "{Experimental and theoretical study of aromatic-aromatic interactions. {A}ssociation enthalpies and central and distributed multipole electric moments analysis}",
	Journal = "J. Phys. Chem. B",
	Volume = "107",
	Number = "17",
	Pages = "4167–4174",
	collection = "stacking",
	doi = "10.1021/jp0225828",
	year = 2003
}

@Article{2003-Piomelli,
	Author = "Daniele Piomelli",
	Title = "{The molecular logic of endocannabinoid singalling}",
	Journal = "Nature Reviews",
	Volume = "4",
	Pages = "873",
	collection = "molecular signaling",
	year = 2003
}

@Article{2003-Popelier-Rafat,
	Author = "Paul L. A. Popelier and Michel Rafat",
	Title = "{The electrostatic potential generated by topological atoms: a continuous multipole method leading to larger convergence regions}",
	Journal = "Chem. Phys. Lett.",
	Volume = "376",
	Number = "1-2",
	Pages = "148–153",
	cited = "1 (2005-05-24)",
	collection = "molecular electrostatics",
	doi = "10.1016/S0009-2614(03)00957-6",
	year = 2003
}

@Article{2003-Ramirez-TCS,
	Author = "F. Javier Ramirez and Inaki Tunon and Juan A. Collado and Estanislao Silla",
	Title = "{Structural and vibrational study of the tautomerism of histamine free-base in solution}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "125",
	Pages = "2328–2340",
	collection = "molecular signaling",
	doi = "10.1021/ja027103x",
	year = 2003
}

@Article{2003-Ray-Okamoto,
	Author = "Suprakas Sinha Ray and Masami Okamoto",
	Title = "{Polymer/layered silicate nanocomposites: a review from preparation to processing}",
	Journal = "Prog. Polym. Sci.",
	Volume = "28",
	Pages = "1539–1641",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.progpolymsci.2003.08.002",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2003
}

@Article{2003-Rosu-PGALMRM,
	Author = "Frederic Rosu and Edwin De Pauw and Lionel Guittat and Patrizia Alberti and Laurent Lacroix and Patrick Mailliet and {Jean-François} Riou and {Jean-Louis} Mergny",
	Title = "{Selective Interaction of Ethidium Derivatives with Quadruplexes: An Equilibrium Dialysis and Electrospray Ionization Mass Spectrometry Analysis†}",
	Journal = "Biochemistry",
	Volume = "42",
	Number = "35",
	Pages = "10361–10371",
	collection = "nucleic acid drugs",
	doi = "10.1021/bi034531m",
	shorttitle = "Selective Interaction of Ethidium Derivatives with Quadruplexes",
	year = 2003
}

@Article{2003-Sanishvili-YLSEDLTASJE,
	Author = "Ruslan Sanishvili and Alexander F. Yakunin and Roman A. Laskowski and Tatiana Skarina and Elena Evdokimova and Amanda Doherty-Kirby and Gilles A. Lajoie and Janet M. Thornton and Cheryl H. Arrowsmith and Alexei Savchenko and Andrzej Joachimiak and Aled M. Edwards",
	Title = "{Integrating structure, bioinformatics, and enzymology to discover function}",
	Journal = "J. Biol. Chem.",
	Volume = "278",
	Number = "28",
	Pages = "26039–26045",
	Note = "Applies an active site template search method in a function discovery pipeline.",
	collection = "enzymes",
	doi = "10.1074/jbc.M303867200",
	rating = "2",
	read = "2013-09-17",
	year = 2003
}

@Article{2003-Schmidt-Malwitz,
	Author = "Gudrun Schmidt and Matthew M. Malwitz",
	Title = "{Properties of polymer–nanoparticle composites}",
	Journal = "Curr. Op. Coll. Int. Sci.",
	Volume = "8",
	Pages = "103–108",
	collection = "polymer nanocomposites",
	doi = "10.1016/S1359-0294",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2003
}

@Article{2003-Starr-DG,
	Author = "Francis W. Starr and Jack F. Douglas and Sharon C. Glotzer",
	Title = "{Origin of particle clustering in a simulated polymer nanocomposite and its impact on rheology}",
	Journal = "J. Chem. Phys.",
	Volume = "119",
	Number = "3",
	Pages = "1777–1788",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.1580099",
	year = 2003
}

@Article{2003-Steitz-GHKKSSF,
	Author = "Roland Steitz and Thomas Gutberlet and Thomas Hauss and Beate Klosgen and Rumen Krastev and Sebastian Schemmel and Adam C. Simonsen and Gerhard H. Findenegg",
	Title = "{Nanobubbles and their precursor layer at the interface of water against a hydrophobic substrate}",
	Journal = "Langmuir",
	Volume = "19",
	Pages = "2409–2418",
	cited = "208 (2013-04-29)",
	collection = "interfaces",
	doi = "10.1021/la026731p",
	year = 2003
}

@Article{2003-Toczylowski-Cybulski,
	Author = "Rafał R. Toczyłowski and Sławomir M. Cybulski",
	Title = "{An Analysis of the Interactions between Nucleic Acid Bases: {Hydrogen-Bonded} Base Pairs}",
	Journal = "J. Phys. Chem. A",
	Volume = "107",
	Number = "3",
	Pages = "418–426",
	collection = "nucleic acid bases",
	doi = "10.1021/jp021805r",
	shorttitle = "An Analysis of the Interactions between Nucleic Acid Bases",
	year = 2003
}

@Article{2003-Vardevanyan-APDK,
	Author = "P. O. Vardevanyan and A. P. Antonyan and M. A. Parsadanyan and H. G. Davtyan and A. T. Karapetyan",
	Title = "{The binding of ethidium bromide with {DNA}:
interaction with single- and double-stranded
structures}",
	Journal = "Exp. Mol. Med.",
	Volume = "35",
	Number = "6",
	Pages = "527–533",
	collection = "nucleic acid intercalation",
	year = 2003
}

@Article{2003-Wang-NP,
	Author = "Qiang Wang and Paul F. Nealey and Juan J. {de Pablo}",
	Title = "{Behavior of single nanoparticle/homopolymer chain in ordered structures of diblock copolymers}",
	Journal = "J. Chem. Phys.",
	Volume = "118",
	Number = "24",
	Pages = "11278–11285",
	Note = "Observes the positioning of a single particle and a single homopolymer chain in diclobk BCP structures.",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.1575207",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer blends; polymer nanocomposites",
	methods = "MC",
	year = 2003
}

@Article{2003-Whitehead-BSR,
	Author = "Christpoher E. Whitehead and Curt M. Breneman and Narayanasami Sukumar and M. D. Ryan",
	Title = "{Transferable atom equivalent multicentered multipole expansion method}",
	Journal = "J. Comp. Chem.",
	Volume = "24",
	Pages = "512–529",
	collection = "molecular electrostatics",
	doi = "10.1002/jcc.10240",
	keywords = "multipole expansion",
	year = 2003
}

@Article{2003-Xu-HR,
	Author = "Ting Xu and Craig J. Hawker and Thomas P. Russell",
	Title = "{Interfacial energy effects on the electric field alignment of symmetric diblock copolymers}",
	Journal = "Macromolecules",
	Volume = "36",
	Pages = "6178–6182",
	collection = "block copolymers",
	doi = "10.1021/ma034511s",
	keywords = "block copolymers; electric fields",
	year = 2008
}

@Article{2003-Yeh-WSJL,
	Author = "Siao-Wei Yeh and Kung-Hwa Wei and Ya-Sen Sun and U-Ser Jeng and Keng S. Liang",
	Title = "{Morphological transformation of PS-b-PEO diblock copolymer by selectively dispersed colloidal CdS quantum dots}",
	Journal = "Macromolecules",
	Volume = "36",
	Pages = "7903–7907",
	Note = "Demonstrates morphology changes in PS-b-PEO copolymer upon adding PEO-selective CdS quantum dots.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma034800g",
	keywords = "block copolymers; mesophase transitions; polymer nanocomposites",
	methods = "DSC, fluorescence, SAXS, WAXS, AFM, TEM",
	systems = "CdS@PS-PEO",
	year = 2003
}

@Article{2003-Zvelindovsky-Sevink,
	Author = "Andrei V. Zvelindovsky and G. J. Agur Sevink",
	Title = "{Comment on 'Microscopic mechanisms of electric-field-induced alignment of block copolymer microdomains'}",
	Journal = "Phys. Rev. Lett.",
	Volume = "90",
	Number = "4",
	Pages = "049601",
	collection = "block copolymers",
	doi = "10.1103/PhysRevLett.90.049601",
	keywords = "alignment",
	year = 2003
}

@Article{2004-Aarts-DLBR,
	Author = "D. G. A. L. Aarts and R. P. A. Dullens and H. N. W. Lekkerkerker and D. Bonn and R. van Roij",
	Title = "{Interfacial tension and wetting in colloid–polymer mixtures}",
	Journal = "J. Chem. Phys.",
	Volume = "120",
	Number = "4",
	Pages = "1973–1980",
	collection = "polymers",
	doi = "10.1063/1.1635810",
	year = 2004
}

@Article{2004-Andrews-Weisenberger,
	Author = "R. Andrews and M. C. Weisenberger",
	Title = "{Carbon nanotube polymer composites}",
	Journal = "Curr. Op. Solid State Mat. Sci.",
	Volume = "8",
	Pages = "31–37",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.cossms.2003.10.006",
	keywords = "fullerenes; polymer nanocomposites",
	type = "Review",
	year = 2004
}

@Article{2004-Angelescu-WADCRC,
	Author = "Dan E. Angelescu and Judith H. Waller and Douglas H. Adamson and Paru Deshpande and Stephen Y. Chou and Richard A. Register and Paul M. Chaikin",
	Title = "{Macroscopic orientation of block copolymer cylinders in single-layer films by shearing}",
	Journal = "Adv. Mater.",
	Volume = "16",
	Number = "19",
	Pages = "1736–1740",
	collection = "block copolymers",
	doi = "10.1002/adma.200400643",
	keywords = "block copolymers",
	year = 2004
}

@Article{2004-Bader-MC,
	Author = "Richard F. W. Bader and Chérif F. Matta and Fernando {Cortés-Guzmán}",
	Title = "{Where To Draw the Line in Defining a Molecular Structure}",
	Journal = "Organometallics",
	Volume = "23",
	Number = "26",
	Pages = "6253–6263",
	collection = "molecular structure",
	doi = "10.1021/om049450g",
	year = 2004
}

@Article{2004-Bader-Matta,
	Author = "Richard F. W. Bader and Chérif F. Matta",
	Title = "{Atomic Charges Are Measurable Quantum Expectation Values: A Rebuttal of Criticisms of {QTAIM} Charges}",
	Journal = "J. Phys. Chem. A",
	Volume = "108",
	Number = "40",
	Pages = "8385–8394",
	collection = "molecular fragmentation",
	doi = "10.1021/jp0482666",
	year = 2004
}

@Article{2004-Baucom-TFKDS,
	Author = "Jason Baucom and Thomas Transue and Miguel Fuentes-Cabrera and J. M. Krahn and Thomas A. Darden and Celeste Sagui",
	Title = "{Molecular dynamics simulations of the d(CCAACGTTGG)2 decamer in crystal environment: comparison of atomic point-charge, extra-point, and polarizable force fields}",
	Journal = "J. Chem. Phys.",
	Volume = "121",
	Number = "14",
	Pages = "6998–7008",
	collection = "nucleic acids",
	doi = "10.1063/1.1788631",
	year = 2005
}

@Article{2004-Bockstaller-Thomas,
	Author = "Michael R. Bockstaller and Edwin L. Thomas",
	Title = "{Proximity effects in self-organized binary particle–block copolymer blends}",
	Journal = "Phys. Rev. Lett.",
	Volume = "93",
	Number = "16",
	Pages = "166106",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevLett.93.166106",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "absorbance, TEM",
	systems = "Au-dodcyl@PS-PEP, Au-PS@PS-PEP",
	year = 2004
}

@Article{2004-Burnecki-Weron,
	Author = "Krzysztof Burnecki and Aleksander Weron",
	Title = "{Lévy stable processes. From stationary to self-similar dynamics and back. An application to finance}",
	Journal = "Acta Phys. Pol. B",
	Volume = "35",
	Number = "4",
	Pages = "1343–1359",
	collection = "statistics",
	year = 2004
}

@Article{2004-Carmichael-CD,
	Author = "Matthew Carmichael and Kimberly Chenoweth and Clifford E. Dykstra",
	Title = "{Hydrogen Molecule Clusters}",
	Journal = "J. Phys. Chem. A",
	Volume = "108",
	Number = "15",
	Pages = "3143–3152",
	collection = "hydrogen sorption",
	doi = "10.1021/jp037209u",
	year = 2004
}

@Article{2004-Cashman-Kellogg,
	Author = "Derek J. Cashman and Glen E. Kellogg",
	Title = "{A computational model for anthracycline binding to {DNA}: tuning groove-binding intercalators for specific sequences}",
	Journal = "J. Med. Chem.",
	Volume = "47",
	Number = "6",
	Pages = "1360–1374",
	collection = "nucleic acid intercalation",
	doi = "10.1021/jm030529h",
	year = 2004
}

@Article{2004-Cencek-JBJJS,
	Author = "Wojciech Cencek and Małgorzata Jeziorska and Robert Bukowski and Michał Jaszuński and Bogumił Jeziorski and Krzysztof Szalewicz",
	Title = "{Helium dimer interaction energies from {G}aussian geminal and orbital calculations}",
	Journal = "J. Phys. Chem. A",
	Volume = "108",
	Number = "15",
	Pages = "3211 – 3224",
	collection = "molecular interactions",
	doi = "10.1021/jp037544i",
	size = "14 p.",
	year = 2004
}

@Article{2004-Chaudhari-SAM,
	Author = "Ajay Chaudhari and A. G. Shankarwar and B. R. Arbad and S. C. Mehrotra",
	Title = "{Dielectric relaxation in glycine-water and glycine-ethanol-water solutions using time domain reflectometry}",
	Journal = "J. Solution Chem.",
	Volume = "33",
	Number = "3",
	Pages = "313–323",
	collection = "molecular solvation",
	doi = "10.1023/B:JOSL.0000035363.49294.d1",
	year = 2004
}

@Article{2004-Cortes-Guzman-Bader,
	Author = "Fernando {Cortés-Guzmán} and Richard F. W. Bader",
	Title = "{Role of functional groups in linear regression analysis of molecular properties}",
	Journal = "J. Phys. Org. Chem.",
	Volume = "17",
	Number = "2",
	Pages = "95–99",
	collection = "molecular fragmentation",
	doi = "10.1002/poc.702",
	year = 2004
}

@Article{2004-Davis,
	Author = "Jeffery T. Davis",
	Title = "{{G-Quartets} 40 Years Later: From {5prime-GMP} to Molecular Biology and Supramolecular Chemistry}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "43",
	Number = "6",
	Pages = "668–698",
	collection = "nucleic acids",
	doi = "10.1002/anie.200300589",
	shorttitle = "{G-Quartets} 40 Years Later",
	year = 2004
}

@Article{2004-DeRouchey-TR,
	Author = "J. DeRouchey and T. Thurn-Albrecht and Thomas P. Russell",
	Title = "{Block copolymer domain reorientation in an electric field: an in-situ small-angle X-ray scattering study}",
	Journal = "Macromolecules",
	Volume = "37",
	Pages = "2538–2543",
	collection = "block copolymers",
	doi = "10.1021/ma034739f",
	keywords = "electric fields",
	year = 2004
}

@Article{2004-Dracinsky-Castano,
	Author = "Martin Dračinský and Obis Castaño",
	Title = "{Calculations of interaction energies of ellipticine derivatives with {DNA} base pairs}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "6",
	Number = "8",
	Pages = "1799–1805",
	collection = "nucleic acid intercalation",
	doi = "10.1039/b400471j",
	year = 2004
}

@Article{2004-Fedorov-Kitaura,
	Author = "Dmitri G. Fedorov and Kazuo Kitaura",
	Title = "{The importance of three-body terms in the fragment molecular orbital method}",
	Journal = "J. Chem. Phys.",
	Volume = "120",
	Number = "15",
	Pages = "6832 – 6840",
	collection = "molecular fragmentation",
	doi = "10.1063/1.1687334",
	methods = "FMO, RHF",
	year = 2004
}

@Article{2004-Finkelstein-Galzitskaya,
	Author = "Aleksei V. Finkelstein and Oxana V. Galzitskaya",
	Title = "{Physics of protein folding}",
	Journal = "Physics of Life Reviews",
	Volume = "1",
	Pages = "23–56",
	Note = "Good discussion around the folding nucleus, rate and kinetics of small proteins",
	collection = "protein structure",
	keywords = "protein folding",
	rating = "2",
	read = "2013-08-02",
	year = 2004
}

@Article{2004-Garcia-Viloca-GKT,
	Author = "Mireia Garcia-Volica and Jiali Gao and Martin Karplus and Donald G. Truhlar",
	Title = "{How enzymes work: analysis by modern rate theory and computer simulations}",
	Journal = "Science",
	Volume = "303",
	Pages = "186–195",
	collection = "enzymes",
	doi = "10.1126/science.1088172",
	year = 2004
}

@Article{2004-Gora-BRL,
	Author = "Robert W. Góra and Wojciech Bartkowiak and Szczepan Roszak and Jerzy Leszczyński",
	Title = "{Intermolecular interactions in solution: elucidating the influence of the solvent}",
	Journal = "J. Chem. Phys.",
	Volume = "120",
	Number = "6",
	Pages = "2802–2813",
	collection = "molecular solvation",
	doi = "10.1063/1.1636155",
	year = 2004
}

@Article{2004-Gresh-KTS,
	Author = "Nohad Gresh and Sherif A. Kafafi and Jean-François Truchon and Dennis R. Salahub",
	Title = "{Intramolecular interaction energies in model alanine and glycine tetrapeptides. {E}valuation of anisotropy, polarization, and correlation effects. a parallel ab initio {HF}/{MP}2, {DFT}, and polarizable molecular mechanics study}",
	Journal = "J. Comp. Chem.",
	Volume = "25",
	Number = "6",
	Pages = "823–834",
	collection = "protein structure",
	doi = "10.1002/jcc.20012",
	year = 2004
}

@Article{2004-Hecht-FC,
	Author = "Christoph Hecht and Josef Friedrich and Ta-Chau Chang",
	Title = "{Interactions of Thionin with {DNA} Strands: Intercalation versus External Stacking}",
	Journal = "J. Phys. Chem. B",
	Volume = "108",
	Number = "29",
	Pages = "10241–10244",
	collection = "nucleic acid intercalation",
	doi = "10.1021/jp0372993",
	shorttitle = "Interactions of Thionin with {DNA} Strands",
	year = 2004
}

@Article{2004-Hooper-SDKK,
	Author = "Justin B. Hooper and Kenneth S. Schweizer and T. G. Desai and R. Koshy and Pawl Keblinski",
	Title = "{Structure, surface excess and effective interactions in polymer nanocomposite melts and concentrated solutions}",
	Journal = "J. Chem. Phys.",
	Volume = "121",
	Number = "14",
	Pages = "6986–6997",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.1790831",
	keywords = "polymer nanocomposites",
	year = 2004
}

@Article{2004-Hopkins-Tschumper,
	Author = "Brian W. Hopkins and Gregory S. Tschumper",
	Title = "{Ab Initio Studies of π···π Interactions: The Effects of Quadruple Excitations}",
	Journal = "J. Phys. Chem. A",
	Volume = "108",
	Number = "15",
	Pages = "2941–2948",
	collection = "stacking",
	doi = "10.1021/jp0369084",
	shorttitle = "Ab Initio Studies of π···π Interactions",
	year = 2004
}

@Article{2004-Hubner-GFK,
	Author = "Olaf Hubner and Andreas Gloss and Maximilian Fichtner and Wim Klopper",
	Title = "{On the interaction of dihydrogen with aromatic systems}",
	Journal = "J. Phys. Chem. A",
	Volume = "108",
	Number = "15",
	Pages = "3019–3023",
	collection = "hydrogen sorption",
	doi = "10.1021/jp031102p",
	keywords = "hydrogen adsorption",
	methods = "MP2, CCSD(T)",
	systems = "dihydrogen near aromatics",
	year = 2004
}

@Article{2004-Jankowski,
	Author = "Piotr Jankowski",
	Title = "{Approximate generation of full-dimensional ab initio van der Waals surfaces for high-resolution spectroscopy}",
	Journal = "J. Chem. Phys.",
	Volume = "121",
	Number = "4",
	Pages = "1655–1662",
	collection = "molecular interactions",
	doi = "10.1063/1.1766293",
	year = 2004
}

@Article{2004-Jeng-SLHL,
	Author = "U-Ser Jeng and Ya-Sen Sun and Hsin-Yi Lee and Chia-Hung Hsu and Keng S. Liang",
	Title = "{Binding effect of surface-modified cadmium sulfide on the microstructure of PS-b-PEO block copolymers}",
	Journal = "Macromolecules",
	Volume = "37",
	Pages = "4617–4622",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma049722r",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SAXS, TEM",
	rating = "2",
	read = "2012-03-21",
	systems = "CdS-ethanol@PS-PEO",
	year = 2004
}

@Article{2004-Jones-Thornton,
	Author = "Susan Jones and Janet M. Thornton",
	Title = "{Searching for functional sites in protein structures}",
	Journal = "Curr. Opin. Chem. Biol",
	Volume = "8",
	Pages = "3–7",
	Note = "Short snapshot of available methods in 2004, with several good references to follow up on.",
	cited = "113 (2013-08-28)",
	collection = "protein structures",
	doi = "10.1016/j.cbpa.2003.11.001",
	keywords = "active site",
	rating = "2",
	read = "2013-08-27",
	year = 2004
}

@Article{2004-Katz-Willner,
	Author = "Eugenii Katz and Itamar Willner",
	Title = "{Integrated {Nanoparticle-Biomolecule} Hybrid Systems: Synthesis, Properties, and Applications}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "43",
	Number = "45",
	Pages = "6042–6108",
	collection = "nanoparticles",
	doi = "10.1002/anie.200400651",
	shorttitle = "Integrated {Nanoparticle-Biomolecule} Hybrid Systems",
	year = 2004
}

@Article{2004-Kedzierski-WSSL,
	Author = "Paweł Kędzierski and Paweł Wielgus and Adrian Sikora and W. Andrzej Sokalski and Jerzy Leszczyński",
	Title = "{Visualization of the differential transition state stabilziation within the active site environment}",
	Journal = "Int. J. Mol. Sci.",
	Volume = "5",
	Pages = "186–195",
	collection = "enzymes",
	doi = "10.3390/i5040186",
	keywords = "active site",
	methods = "DTSS",
	year = 2004
}

@Article{2004-Knoll-LHKSZM,
	Author = "A. Knoll and Kateryna S. Lyakhova and A. Horvat and Georg Krausch and G. J. Agur Sevink and Andrei V. Zvelindovsky and R. Magerle",
	Title = "{Direct imaging and mesoscale modelling of phase transitions in a nanostructured fluid}",
	Journal = "Nature Mat.",
	Volume = "3",
	Pages = "886–890",
	collection = "block copolymers",
	doi = "10.1038/nmat1258",
	keywords = "block copolymers; mesophase transitions; thin films",
	year = 2004
}

@Article{2004-Lee-BB,
	Author = "Jae Youn Lee and Gavin A. Buxton and Anna C. Balazs",
	Title = "{Using nanoparticles to create self-healing composites}",
	Journal = "J. Chem. Phys.",
	Volume = "121",
	Number = "11",
	Pages = "5531–5540",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.1784432",
	keywords = "healing; nanoparticle aggregation; nanoparticle distribution; nanospheres; polymer nanocomposites",
	year = 2004
}

@Article{2004-Liem-PL,
	Author = "S. Y. Liem and Paul L. A. Popelier and M. Leslie",
	Title = "{Simulation of liquid water using a high-rank quantum topological electrostatic potential}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "99",
	Number = "5",
	Pages = "685–694",
	collection = "molecular electrostatics",
	doi = "10.1002/qua.20025",
	year = 2004
}

@Article{2004-Maroulis,
	Author = "George Maroulis",
	Title = "{A note on the electric multipole moments of carbon dioxide}",
	Journal = "Chem. Phys. Lett.",
	Volume = "396",
	Number = "1-3",
	Pages = "66–68",
	collection = "molecular electrostatics",
	doi = "10.1016/j.cplett.2004.07.123",
	year = 2004
}

@Article{2004-Mochizuki-KNAK,
	Author = "Yuji Mochizuki and Shigeru Nagase and Tatsuya Nakano and Shinji Amari and Kazuo Kitaura",
	Title = "{Large scale MP2 calculations with fragment molecular orbital scheme}",
	Journal = "Chem. Phys. Lett.",
	Volume = "396",
	Pages = "473–479",
	collection = "molecular fragmentation",
	doi = "10.1016/j.cplett.2004.08.082",
	year = 2004
}

@Article{2004-Mor-RLPTDTPKP,
	Author = "Marco Mor and Silvia Rivara and Alessio Lodola and Pier Vencenzo Plazzi and Giorgio Tarzia and Andrea Duranti and Andrea Tontini and Giovanni Piersanti and Satish Kathuria and Daniele Piomelli",
	Title = "{Cyclohexylcarbamic Acid 3′- or 4′-Substituted Biphenyl-3-yl Esters as Fatty Acid Amide Hydrolase Inhibitors: Synthesis, Quantitative Structure-Activity Relationships, and Molecular Modeling Studies}",
	Journal = "J. Med. Chem.",
	Volume = "47",
	Pages = "4998–5008",
	collection = "enzymes",
	doi = "10.1021/jm031140x",
	year = 2004
}

@Article{2004-Nowak-Wysocki,
	Author = "Katarzyna Nowak and Stanislaw Wysocki",
	Title = "{The semiempirical and {DFT} methods in studies on geometry and energetics of {AMSA} isomers: comparison of {m-AMSA} and {o-AMSA} properties}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "682",
	Number = "1-3",
	Pages = "191–199",
	collection = "nucleic acid drugs",
	doi = "10.1016/j.theochem.2004.04.029",
	shorttitle = "The semiempirical and {DFT} methods in studies on geometry and energetics of {AMSA} isomers",
	year = 2004
}

@Article{2004-Reister-Fredrickson,
	Author = "Ellen Reister and Glenn H. Fredrickson",
	Title = "{Nanoparticles in a diblock copolymer background: the potential of mean force}",
	Journal = "Macromolecules",
	Volume = "37",
	Pages = "4718–4730",
	Note = "Studies the PMF between two bare, selective particles in a diblock above and under ODT.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma035849p",
	keywords = "block copolymers; nanospheres; polymer nanocomposites",
	methods = "SCFT",
	year = 2004
}

@Article{2004-Rinaldi-BRD,
	Author = "Daniel Rinaldi and Alain Bouchy and Jean-Louis Rivail and Valerie Dillet",
	Title = "{A self-consistent reaction field model of solvation using distributed multipoles. {I}. {E}nergy and energy derivatives}",
	Journal = "J. Chem. Phys.",
	Volume = "120",
	Number = "5",
	Pages = "2343–2350",
	cited = "3 (2005-05-05)",
	collection = "molecular solvation",
	doi = "10.1063/1.1635355",
	year = 2004
}

@Article{2004-Sagui-PDR,
	Author = "Celeste Sagui and Pawel Pomorski and Thomas A. Darden and Christopher Roland",
	Title = "{Ab initio calculation of electrostatic multipole with Wannier functions for large-scale biomolecular simulations}",
	Journal = "J. Chem. Phys.",
	Volume = "120",
	Number = "9",
	Pages = "4530–4544",
	collection = "molecular electrostatics",
	doi = "10.1063/1.1644800",
	year = 2004
}

@Article{2004-Sato-Buchner,
	Author = "Takaaki Sato and Richard Buchner",
	Title = "{Dielectric relaxation processes in ethanol/water mixtures}",
	Journal = "J. Phys. Chem. A",
	Volume = "108",
	Pages = "5007–5015",
	cited = "49 (2013-04-29)",
	collection = "molecular solvation",
	doi = "10.1021/jp035255o",
	year = 2004
}

@Article{2004-Sheng-BPRAC,
	Author = "N. Sheng and M. C. Boyce and D. M. Parks and G. C. Rutledge and J. I. Abes and R. E. Cohen",
	Title = "{Multiscale micromechanical modeling of polymer/clay nanocomposites and the effective clay particle}",
	Journal = "Polymer",
	Volume = "45",
	Pages = "487–506",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.polymer.2003.10.100",
	keywords = "mechanical properties; polymer nanocomposites",
	year = 2004
}

@Article{2004-Simonsen-HK,
	Author = "Adam C. Simonsen and Per L. Hansen and Beate Klosgen",
	Title = "{Nanobuibbles give evidence of incomplete wetting at a hydrophobic interface}",
	Journal = "J. Colloid Interface Sci.",
	Volume = "204",
	Pages = "291–299",
	cited = "91 (2013-04-29)",
	collection = "interfaces",
	doi = "10.1016/j.jcis.2003.12.035",
	year = 2004
}

@Article{2004-Szefczyk-MRS,
	Author = "Borys Szefczyk and Adrian J. Mulholland and Kara E. Ranaghan and W. Andrzej Sokalski",
	Title = "{Differential transition-state stabilization in enzyme catalysis: quantum chemical analysis of interactions in the chorismate mutase reaction and prediction of the optimal catalytic field}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "126",
	Pages = "16148–16159",
	collection = "enzymes",
	doi = "10.1021/ja049376t",
	year = 2004
}

@Article{2004-Thompson-RL,
	Author = "Russell B. Thompson and Kim O. Rasmussen and Turab Lookman",
	Title = "{Origins of elastic properties in ordered block copolymer-nanoparticle composites}",
	Journal = "Nano Lett.",
	Volume = "4",
	Number = "12",
	Pages = "2455–2459",
	Note = "Predicts a diblock copolymer lamellar phase (Nχ=25) to be weaker (lower tensile modulus) when loaded (15\%) with spherical 0.725Rg NPs.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nl048407f",
	keywords = "block copolymers; mechanical properties; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SCFT",
	year = 2004
}

@Article{2004-Trieb-RWWL,
	Author = "Michael Trieb and Christine Rauch and Fajar R. Wibowo and Bernd Wellenzohn and Klaus R. Liedl",
	Title = "{Cooperative effects on the formation of intercalation sites}",
	Journal = "Nucl. Acids Res.",
	Volume = "32",
	Number = "15",
	Pages = "4696–4703",
	collection = "nucleic acid intercalation",
	doi = "10.1093/nar",
	year = 2004
}

@Article{2004-Tsuzuki-HUM,
	Author = "Seiji Tsuzuki and Kazumasa Honda and Tadafumi Uchimaru and Masuhiro Mikami",
	Title = "{High-level ab initio computations of structures and interaction energies of naphthalene dimers: Origin of attraction and its directionality}",
	Journal = "J. Chem. Phys.",
	Volume = "120",
	Number = "2",
	Pages = "647",
	collection = "stacking",
	doi = "10.1063/1.1630953",
	shorttitle = "High-level ab initio computations of structures and interaction energies of naphthalene dimers",
	year = 2004
}

@Article{2004-Tyagi-LBB,
	Author = "Sandeep Tyagi and Jae Youn Lee and Gavin A. Buxton and Anna C. Balazs",
	Title = "{Using nanocomposite coatings to heal surface defects}",
	Journal = "Macromolecules",
	Volume = "37",
	Pages = "9160–9168",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma048773l",
	year = 2004
}

@Article{2004-Varnai-Zakrzewska,
	Author = "Peter Varnai and Krystyna Zakrzewska",
	Title = "{{DNA} and its counterions: a molecular dynamics study}",
	Journal = "Nucl. Acids Res.",
	Volume = "32",
	Number = "14",
	Pages = "4269–4280",
	collection = "nucleic acids",
	doi = "10.1093/nar",
	shorttitle = "{DNA} and its counterions",
	year = 2004
}

@Article{2004-Volkov-Coppens,
	Author = "Anatoliy Volkov and Phillip Coppens",
	Title = "{Calculation of Electrostatic Interaction Energies in Molecular Dimers From Atomic Multipole Moments Obtained By Different Methods of Electron Density Partitioning}",
	Journal = "J. Comp. Chem.",
	Volume = "25",
	Number = "7",
	Pages = "921–934",
	cited = "6 (2005-04-13)",
	collection = "molecular electrostatics",
	doi = "10.1002/jcc.20023",
	year = 2004
}

@Article{2004-Wengel,
	Author = "Jesper Wengel",
	Title = "{Nucleic acid nanotechnology-towards Angstrom-scale engineering}",
	Journal = "Org. Biomol. Chem.",
	Volume = "2",
	Number = "3",
	Pages = "277–280",
	collection = "nucleic acids",
	doi = "10.1039/b313986g",
	year = 2004
}

@Article{2004-Xu-ZSGOZGR,
	Author = "Ting Xu and Andrei V. Zvelindovsky and G. J. Agur Sevink and Oleg Gang and Ben Ocko and Yuqing Zhu and Samuel P. Gido and Thomas P. Russell",
	Title = "{Electric Field Induced {Sphere-to-Cylinder} Transition in Diblock Copolymer Thin Films}",
	Journal = "Macromolecules",
	Volume = "37",
	Number = "18",
	Pages = "6980–6984",
	collection = "block copolymers",
	doi = "10.1021/ma049235b",
	keywords = "block copolymers; electric fields; mesophase transitions",
	year = 2004
}

@Article{2004-Yan,
	Author = "Hao Yan",
	Title = "{Materials Science: Nucleic Acid Nanotechnology}",
	Journal = "Science",
	Volume = "306",
	Number = "5704",
	Pages = "2048–2049",
	collection = "nucleic acids",
	doi = "10.1126/science.1106754",
	shorttitle = "{MATERIALS} {SCIENCE}",
	year = 2004
}

@Article{2005-Alexander-Cravatt,
	Author = "Jessica P. Alexander and Benjamin F. Cravatt",
	Title = "{mechanism of carbamate inactivation of FAAH: implications for the design of covalent inhibitors and in vivo functional probes for enzymes}",
	Journal = "Chem. Biol.",
	Volume = "12",
	Pages = "1179–1187",
	collection = "enzymes",
	doi = "10.1016/j.chembiol.2005.08.011",
	year = 2005
}

@Article{2005-Bader,
	Author = "Richard F. W. Bader",
	Title = "{The Quantum Mechanical Basis of Conceptual Chemistry}",
	Journal = "Monatshefte für Chemie",
	Volume = "136",
	Number = "6",
	Pages = "819–854",
	collection = "philosophy",
	doi = "10.1007/s00706-005-0307-x",
	year = 2005
}

@Article{2005-Bader-Fang,
	Author = "Richard F. W. Bader and {De-Chai} Fang",
	Title = "{Properties of atoms in molecules: caged atoms and the Ehrenfest force}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "1",
	Pages = "403–414",
	collection = "quantum chemistry",
	doi = "10.1021/ct049839l",
	year = 2005
}

@Article{2005-Bansal-YLCBKS,
	Author = "Amitabh Bansal and Hoichang Yang and Chunzhao Li and Kilwon Cho and Brian C. Benicewicz and Sanat K. Kumar and Linda S. Schadler",
	Title = "{Quantitative equivalence between polymer nanocomposites and thin polymer films}",
	Journal = "Nature Mat.",
	Volume = "4",
	Pages = "693–698",
	collection = "polymer nanocomposites",
	doi = "10.1038/nmat1447",
	keywords = "polymer nanocomposites; thin films",
	year = 2005
}

@Article{2005-Benevides-Thomas,
	Author = "James M. Benevides and George J. Thomas",
	Title = "{Local Conformational Changes Induced in {B-DNA} by Ethidium Intercalation}",
	Journal = "Biochemistry",
	Volume = "44",
	Number = "8",
	Pages = "2993–2999",
	collection = "nucleic acid intercalation",
	doi = "10.1021/bi048651l",
	year = 2005
}

@Article{2005-Binder-KSF,
	Author = "Wolfgang H. Binder and Christian Kluger and Christoph J. Straif and Gernot Freidbacher",
	Title = "{Directed nanoparticle binding onto microphase-separated block copolymer thin films}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "9405–9410",
	Note = "Demonstrates the binding of NPs to specific regions of a lamellar BCP melt via hydrogen bonds.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma0518252",
	keywords = "block copolymers; nanopinning; nanospheres; polymer nanocomposites",
	methods = "GPC, NMR, AFM",
	systems = "Au@PS-PVP",
	year = 2005
}

@Article{2005-Bockstaller-MT,
	Author = "Michael R. Bockstaller and Rafal A. Mickiewicz and Edwin L. Thomas",
	Title = "{Block copolymer nanocomposites: perspectives for tailored functional materials}",
	Journal = "Adv. Mater.",
	Volume = "17",
	Pages = "1331–1349",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/adma.200500167",
	keywords = "block copolymers; polymer nanocomposites",
	rating = "2",
	type = "Review",
	year = 2005
}

@Article{2005-Bordiga-VRRCZABHL,
	Author = "Silvia Bordiga and Jenny G. Vitillo and Gabriele Ricchiardi and Laura Regli and Donato Cocina and Adriano Zecchina and Bjørnar Arstad and Morten Bjørgen and Jasmina Hafizovic and Karl Petter Lillerud",
	Title = "{Interaction of Hydrogen with {MOF-5}}",
	Journal = "J. Phys. Chem. B",
	Volume = "109",
	Number = "39",
	Pages = "18237–18242",
	collection = "hydrogen sorption",
	doi = "10.1021/jp052611p",
	year = 2005
}

@Article{2005-Bryk,
	Author = "Paweł Bryk",
	Title = "{Wetting in mixtures of colloids and excluded-volume polymers from density-functional theory}",
	Journal = "J. Chem. Phys.",
	Volume = "123",
	Pages = "234907",
	collection = "polymers",
	doi = "10.1063/1.2129261",
	year = 2005
}

@Article{2005-Cao-Wu,
	Author = "Dapeng Cao and Jianzhong Wu",
	Title = "{Microstructure of block copolymers near selective surfaces: theoretical predictions and configurational-bias Monte Carlo simulation}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "971–978",
	collection = "block copolymers",
	doi = "10.1021/ma048394s",
	keywords = "block copolymers",
	year = 2005
}

@Article{2005-Cencek-KPS,
	Author = "Wojciech Cencek and Jacek Komasa and Krzysztof Pachucki and Krzysztof Szalewicz",
	Title = "{Relativistic correction to the helium dimer interaction energy}",
	Journal = "Phys. Rev. Lett.",
	Volume = "95",
	Number = "23",
	collection = "molecular interactions",
	doi = "10.1103/PhysRevLett.95.233004",
	year = 2005
}

@Article{2005-Chan-ZLNG,
	Author = "Elaine R. Chan and Xi Zhang and Cheng-Ying Lee and Matthew Neurock and Sharon C. Glotzer",
	Title = "{Simulations of tetra-tethered organic-inorganic nanocube–polymer assemblies}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "6168–6180",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma047722l",
	keywords = "self-assembly; nanoparticle grafts; nanospheres",
	year = 2005
}

@Article{2005-Chang-YHCH,
	Author = "Ta-Chau Chang and Yih-Pey Yang and Kai-Hsiang Huang and Cheng-Chung Chang and Christoph Hecht",
	Title = "{Investigation of {Thionin–DNA} Interaction by Satellite Hole Spectroscopy}",
	Journal = "Optics \& Spectroscopy",
	Volume = "98",
	Number = "5",
	Pages = "655–660",
	collection = "nucleic acid intercalation",
	doi = "10.1134/1.1929049",
	year = 2005
}

@Article{2005-Chen-HH,
	Author = "Yung-Lung Chen and Chun-Huei Huang and Wei-Ping Hu",
	Title = "{Theoretical study on the small clusters of LiH, NaH, BeH$\_2$, and MgH$\_2$}",
	Journal = "J. Phys. Chem. A",
	Volume = "109",
	Pages = "9627–9636",
	collection = "hydrogen bonding",
	doi = "10.1021/jp051978r",
	year = 2005
}

@Article{2005-Cheng-CPKPS,
	Author = "Hansong Cheng and Alan C. Cooper and Guido P. Pez and Milen K. Kostov and Pamela Piotrowski and Steven J. Stuart",
	Title = "{Molecular Dynamics Simulations on the Effects of Diameter and Chirality on Hydrogen Adsorption in Single Walled Carbon Nanotubes}",
	Journal = "J. Phys. Chem. B",
	Volume = "109",
	Number = "9",
	Pages = "3780–3786",
	collection = "hydrogen sorption",
	doi = "10.1021/jp045358m",
	keywords = "fullerenes; hydrogen adsorption",
	year = 2005
}

@Article{2005-Chiu-KKP,
	Author = "Julia J. Chiu and Bumjoon J. Kim and Edward J. Kramer and David J. Pine",
	Title = "{Control of nanoparticle location in block copolymers}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "127",
	Pages = "5036–5037",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ja050376i",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "TEM",
	systems = "Au-PS@PS-PVP, Au-PVP@PS-PVP, Au-PS-PVP@PS-PVP",
	year = 2005
}

@Article{2005-Cockroft-HLPU,
	Author = "Scott L. Cockroft and Christopher A. Hunter and Kevin R. Lawson and Julie Perkins and Christopher J. Urch",
	Title = "{Electrostatic Control of Aromatic Stacking Interactions}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "127",
	Number = "24",
	Pages = "8594–8595",
	collection = "stacking",
	doi = "10.1021/ja050880n",
	year = 2005
}

@Article{2005-Cortes-Guzman-Bader,
	Author = "Fernando {Cortés-Guzmán} and Richard F. W. Bader",
	Title = "{Complementarity of {QTAIM} and {MO} theory in the study of bonding in donor-acceptor complexes}",
	Journal = "Coord. Chem. Rev.",
	Volume = "249",
	Number = "5-6",
	Pages = "633–662",
	collection = "quantum chemistry",
	doi = "10.1016/j.ccr.2004.08.022",
	year = 2005
}

@Article{2005-Cysewski-C,
	Author = "Piotr Cysewski and Żaneta Czyżnikowska-Balcerak",
	Title = "{The MP2 quantum chemistry study on the local minima of guanine stacked with all four nucleic acid bases in conformations corresponding to mean B-DNA}",
	Journal = "J. Mol. Struct.: THEOCHEM",
	Volume = "757",
	Pages = "29–36",
	collection = "nucleic acid bases",
	keywords = "guanine; aromatic stacking",
	methods = "MP2/6-31G*",
	systems = "guanine/guanine, guanine/cytosine, guanine/adenine, guanine/uracil",
	year = 2005
}

@Article{2005-Dabkowska-JH,
	Author = "Iwona Dąbkowska and Petr Jurečka and Pavel Hobza",
	Title = "{On geometries of stacked and H-bonded nucleic acid base pairs determined at various {DFT,} {MP2,} and {CCSD(T)} levels up to the {CCSD(T)/complete} basis set limit level}",
	Journal = "J. Chem. Phys.",
	Volume = "122",
	Number = "20",
	Pages = "204322",
	collection = "nucleic acid bases",
	doi = "10.1063/1.1906205",
	year = 2005
}

@Article{2005-Dabkowska-VJH,
	Author = "Iwona Dąbkowska and Haydée Valdés Gonzalez and Petr Jurečka and Pavel Hobza",
	Title = "{Stabilization Energies of the Hydrogen-Bonded and Stacked Structures of Nucleic Acid Base Pairs in the Crystal Geometries of CG, AT, and AC DNA Steps and in the NMR Geometry of the 5'-d(GCGAAGC)-3' Hairpin: Complete Basis Set Calculations at the MP2 and CCSD(T) Levels}",
	Journal = "J. Phys. Chem. A",
	Volume = "109",
	Pages = "1131–1136",
	collection = "nucleic acid bases",
	doi = "10.1021/jp046738a",
	year = 2005
}

@Article{2005-Dyguda-GSL,
	Author = "Edyta Dyguda and Jolanta Grembecka and W. Andrzej Sokalski and Jerzy Leszczyński",
	Title = "{Origins of the activity of {PAL} and {LAP} enzyme inhibitors: Toward ab initio binding affinity prediction}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "127",
	Number = "6",
	Pages = "1658–1659",
	cited = "0 (2005-04-13)",
	collection = "enzymes",
	doi = "10.1021/ja042691v",
	year = 2005
}

@Article{2005-Fantacci-ASMR,
	Author = "Simona Fantacci and Filippo De Angelis and Antonio Sgamellotti and Alessandro Marrone and Nazzareno Re",
	Title = "{Photophysical Properties of {[Ru(phen)2(dppz)]2+} Intercalated into {DNA:} An Integrated {Car−Parrinello} and {TDDFT} Study}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "127",
	Number = "41",
	Pages = "14144–14145",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja054368d",
	shorttitle = "Photophysical Properties of {[Ru(phen)2(dppz)]2+} Intercalated into {DNA}",
	year = 2005
}

@Article{2005-Fedorov-Kitaura,
	Author = "Dmitri G. Fedorov and Kazuo Kitaura",
	Title = "{Coupled-cluster theory based upon the fragment molecular-orbital method}",
	Journal = "J. Chem. Phys.",
	Volume = "123",
	Number = "13",
	collection = "molecular fragmentation",
	methods = "FMO, CCSD, CCSD(T)",
	year = 2005
}

@Article{2005-Fukuzawa-KUNKN,
	Author = "Kaori Fukuzawa and Kazuo Kitaura and Masami Uebayasi and Kotoko Nakata and Tsuguchika Kaminuma and Tatsuya Nakano",
	Title = "{Ab initio quantum mechanical study of the binding energies of human estrogen receptor alpha with its ligands: an application of fragment molecular orbital method}",
	Journal = "J. Comp. Chem.",
	Volume = "26",
	Pages = "1–10",
	collection = "molecular signaling",
	year = 2005
}

@Article{2005-Ginzburg,
	Author = "Valeriy V. Ginzburg",
	Title = "{Influence of nanoparticles on miscibility of polymer blends. A simple theory}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "2362–2367",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma0482821",
	year = 2005
}

@Article{2005-Gora-GL,
	Author = "Robert W. Góra and Sławomir J. Grabowski and Jerzy Leszczyński",
	Title = "{Dimers of formic acid, acetic acid, formamide and pyrrole-2-carboxylic acid: an ab initio study}",
	Journal = "J. Phys. Chem. A",
	Volume = "109",
	Pages = "6397–6405",
	collection = "hydrogen bonding",
	doi = "10.1021/jp044072e",
	year = 2005
}

@Article{2005-Gora-SLP,
	Author = "Robert W. Góra and W. Andrzej Sokalski and Jerzy Leszczyński and Virginia B. Pett",
	Title = "{The nature of interactions in the ionic crystal of 3-pentenenitrile, 2-nitro-5-oxo, ion(-1), sodium}",
	Journal = "J. Phys. Chem. B",
	Volume = "109",
	Number = "5",
	Pages = "2027–2033",
	cited = "0 (2005-04-13)",
	collection = "molecular crystals",
	doi = "10.1021/jp046912v",
	year = 2005
}

@Article{2005-Hesselmann-JS,
	Author = "Andreas Heßelmann and Georg Jansen and Martin Schütz",
	Title = "{Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies}",
	Journal = "J. Chem. Phys.",
	Volume = "122",
	Number = "1",
	Pages = "014103",
	collection = "molecular interactions",
	doi = "10.1063/1.1824898",
	year = 2005
}

@Article{2005-Hooper-Schweizer,
	Author = "Justin B. Hooper and Kenneth S. Schweizer",
	Title = "{Contact aggregation, bridging, and steric stabilization in dense polymer-particle mixtures}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "8858–8869",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma051318k",
	keywords = "nanospheres; polymer nanocomposites",
	year = 2005
}

@Article{2005-Huang-BB,
	Author = "X. C. Huang and B. J. Braams and J. M. Bowman",
	Title = "{Ab initio potential energy and dipole moment surfaces for {H}5{O}2+}",
	Journal = "J. Chem. Phys.",
	Volume = "122",
	Number = "4",
	collection = "hydrogen bonding",
	doi = "10.1063/1.1834500",
	year = 2005
}

@Article{2005-Huck,
	Author = "Wilhelm T. S. Huck",
	Title = "{Effects of nanoconfinement on the morphology and reactivity of organic materials}",
	Journal = "Chem. Commun.",
	Pages = "4143–4148",
	collection = "nanotechnology",
	doi = "10.1039/b502849n",
	keywords = "nanoconfinement",
	rating = "3",
	read = "2012-01-14",
	type = "Review",
	year = 2005
}

@Article{2005-Hunter-RW,
	Author = "Ken C. Hunter and Lesley R. Rutledge and Stacey D. Wetmore",
	Title = "{The Hydrogen Bonding Properties of Cytosine: A Computational Study of Cytosine Complexed with Hydrogen Fluoride, Water, and Ammonia}",
	Journal = "J. Phys. Chem. A",
	Volume = "109",
	Number = "42",
	Pages = "9554–9562",
	collection = "nucleic acid bases",
	doi = "10.1021/jp0527709",
	shorttitle = "The Hydrogen Bonding Properties of Cytosine",
	year = 2005
}

@Article{2005-Kang-Taton,
	Author = "Youngjong Kang and T. Andrew Taton",
	Title = "{Controlling shell thickness in core-shell gold nanoparticles via surface-templated adsorption of block copolymer surfactants}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "6115–6121",
	collection = "nanoparticles",
	doi = "10.1021/ma050400c",
	keywords = "nanoparticle grafts",
	year = 2005
}

@Article{2005-Kim-CYPK,
	Author = "Bumjoon J. Kim and Julia J. Chiu and Gi-Ra Yi and David J. Pine and Edward J. Kramer",
	Title = "{Nanoparticle-induced phase transitions in diblock-copolymer films}",
	Journal = "Adv. Mater.",
	Volume = "17",
	Pages = "2618–2622",
	Note = "Demonstrates order–order transition in PS-b-P2VP copolymer after loading the PS phase with grafted Au particles.",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/adma.200500502",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites",
	methods = "TEM, mass spectrometry",
	systems = "AU-PS@PS-P2VP",
	year = 2005
}

@Article{2005-Lenz-Schmid,
	Author = "Olaf Lenz and Friederike Schmid",
	Title = "{A simple computer model for liquid lipid bilayers}",
	Journal = "J. Mol. Liquids",
	Volume = "117",
	Pages = "147–152",
	collection = "lipids",
	year = 2005
}

@Article{2005-Lin-BHSXALWELWBR,
	Author = "Yao Lin and Alexander Böker and Jinbo He and Kevin Sill and Hongqi Xiang and Clarissa Abetz and Xuefa Li and Jin Wang and Todd Emrick and Su Long and Qiang Wang and Anna C. Balazs and Thomas P. Russell",
	Title = "{Self-directed self-assembly of nanoparticle/copolymer mixtures}",
	Journal = "Nature",
	Volume = "434",
	Pages = "55–59",
	Note = "Shows reorientation of cylinders in PS-b-P2VP films after adding TOPO-covered CdSe particles.",
	collection = "block copolymer nanocomposites",
	doi = "10.1038/nature03310",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites; thin films",
	methods = "SAXS, AFM, optical microscopy, TEM, SEM",
	systems = "CdSe@PS-P2VP",
	year = 2005
}

@Article{2005-Lodola-MHTPM,
	Author = "Alessio Lodola and Marco Mor and Johannes C. Hermann and Giorgio Tarzia and Daniele Piomelli and Adrian J. Mulholland",
	Title = "{QM/MM modelling of oleamide hydrolysis in fatty acid amide hydrolase (FAAH) reveals a new mechanism of nucleophile activation}",
	Journal = "Chem. Commun.",
	Pages = "4399–4401",
	collection = "enzymes",
	doi = "10.1039/b503887a",
	year = 2005
}

@Article{2005-Luedtke-LT,
	Author = "Nathan W. Luedtke and Qi Liu and Yitzhak Tor",
	Title = "{On the Electronic Structure of Ethidium}",
	Journal = "Chem. Eur. J.",
	Volume = "11",
	Number = "2",
	Pages = "495–508",
	Note = "Generated π-electron density map based on various experimental results.",
	collection = "nucleic acid intercalation",
	doi = "10.1002/chem.200400559",
	year = 2005
}

@Article{2005-Matsen,
	Author = "Mark W. Matsen",
	Title = "{Effect of chain tilt on the interaction between brush-coated colloids}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "4525–4530",
	collection = "nanoparticles",
	doi = "10.1021/ma050362x",
	keywords = "nanoparticle grafts; nanospheres",
	year = 2005
}

@Article{2005-McKinney-Cravatt,
	Author = "Michele K. McKinney and Benjamin F. Cravatt",
	Title = "{Structure and function of fatty acid amide hydrolase}",
	Journal = "Ann. Rev. Biochem.",
	Volume = "74",
	Pages = "411–32",
	collection = "enzymes",
	doi = "10.1146/annurev.biochem.74.082803.133450",
	keywords = "hydrolysis",
	systems = "fatty acid amide hydrolase",
	year = 2005
}

@Article{2005-Mignon-LG,
	Author = "Pierre Mignon and Stefan Loverix and Paul Geerlings",
	Title = "{Interplay between π-π interactions and the H-bonding ability of aromatic nitrogen bases}",
	Journal = "Chem. Phys. Lett.",
	Volume = "401",
	Pages = "40–46",
	collection = "stacking",
	doi = "10.1016/j.cplett.2004.11.016",
	year = 2005
}

@Article{2005-Mignon-LSG,
	Author = "Pierre Mignon and Stefan Loverix and Jan Steyaert and Paul Geerlings",
	Title = "{Influence of the π-π interaction on the hydrogen bonding capacity of stacked DNA/RNA bases}",
	Journal = "Nucl. Acids Res.",
	Volume = "33",
	Number = "6",
	Pages = "1779–1789",
	collection = "nucleic acid bases",
	doi = "10.1093/nar",
	year = 2005
}

@Article{2005-Misquitta-PJS,
	Author = "Alston J. Misquitta and Rafał Podeszwa and Bogumił Jeziorski and Krzysztof Szalewicz",
	Title = "{Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations}",
	Journal = "J. Chem. Phys.",
	Volume = "123",
	Number = "21",
	Pages = "214103",
	collection = "molecular interactions",
	doi = "10.1063/1.2135288",
	year = 2005
}

@Article{2005-Mochizuki-FKTKN,
	Author = "Yuji Mochizuki and Kaori Fukuzawa and A. Kato and Shigenori Tanaka and Kazuo Kitaura and Tatsuya Nakano",
	Title = "{A configuration analysis for fragment interaction}",
	Journal = "Chem. Phys. Lett.",
	Volume = "410",
	Number = "4-6",
	Pages = "247 – 253",
	collection = "quantum chemistry",
	year = 2005
}

@Article{2005-Mulder-DWK,
	Author = "F Mulder and T Dingemans and M Wagemaker and G Kearley",
	Title = "{Modelling of hydrogen adsorption in the metal organic framework {MOF5}}",
	Journal = "Chem. Phys.",
	Volume = "317",
	Number = "2-3",
	Pages = "113–118",
	collection = "hydrogen sorption",
	doi = "10.1016/j.chemphys.2005.06.003",
	year = 2005
}

@Article{2005-Ozmusul-PSK,
	Author = "Murat S. Ozmusul and Catalin R. Picu and S. S. Sternstein and Sanat K. Kumar",
	Title = "{Lattice Monte Carlo simulations of chain conformations in polymer nanocomposites}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "4495–4500",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma0474731",
	keywords = "nanospheres; polymer conformations; polymer nanocomposites",
	year = 2005
}

@Article{2005-Parr-AN,
	Author = "Robert G. Parr and Paul W. Ayers and Roman F. Nalewajski",
	Title = "{What is an atom in a molecule?}",
	Journal = "J. Phys. Chem. A",
	Volume = "109",
	Pages = "3957–3959",
	collection = "molecular fragmentation",
	doi = "10.1021/jp0404596",
	year = 2005
}

@Article{2005-Patchkovskii,
	Author = "S. Patchkovskii",
	Title = "{From The Cover: Graphene nanostructures as tunable storage media for molecular hydrogen}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "102",
	Number = "30",
	Pages = "10439–10444",
	collection = "hydrogen sorption",
	doi = "10.1073/pnas.0501030102",
	shorttitle = "From The Cover",
	year = 2005
}

@Article{2005-Qian-Krimm,
	Author = "Weili Qian and Samuel Krimm",
	Title = "{Limitations of the molecular multipole expansion treatment of electrostatic interactions for C-H...O and O-H...O hydrogen bonds and application of a general charge denity approach}",
	Journal = "J. Phys. Chem. A",
	Volume = "109",
	Pages = "5608–5618",
	collection = "molecular electrostatics",
	doi = "10.1021/jp040683v",
	keywords = "multipole expansion",
	year = 2005
}

@Article{2005-Rafat-Popelier,
	Author = "Michel Rafat and Paul L. A. Popelier",
	Title = "{The electrostatic potential generated by topological atoms. {II}. {I}nverse multipole moments}",
	Journal = "J. Chem. Phys.",
	Volume = "123",
	Number = "20",
	collection = "molecular electrostatics",
	doi = "10.1063/1.2126591",
	year = 2005
}

@Article{2005-Rauf-GAGRAK,
	Author = "S. Rauf and J. J. Gooding and Kalsoom Akhtar and M. Afzal Ghauri and M. Rahman and Munir A. Anwar and A. M. Khalid",
	Title = "{Electrochemical approach of anticancer drugs - {DNA} interaction}",
	Journal = "J. Pharm. Biomed. Analysis",
	Volume = "37",
	Number = "2",
	Pages = "205 – 217",
	collection = "nucleic acid drugs",
	doi = "10.1016/j.jpba.2004.10.037",
	keywords = "drug discovery",
	year = 2005
}

@Article{2005-Reister-Fredrickson,
	Author = "Ellen Reister and Glenn H. Fredrickson",
	Title = "{Phase behavior of a blend of polymer-tethered nanoparticles with diblock copolymers}",
	Journal = "J. Chem. Phys.",
	Volume = "123",
	Pages = "214903",
	Note = "Studies effect of A-grafted NPs on AB diblock copolymer phase separation (lamellar and disordered phases in 2D).",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.2117008",
	keywords = "block copolymers; mesophase transitions; nanoparticle distribution; nanoparticle grafts; nanospheres; polymer nanocomposites",
	methods = "SCFT",
	year = 2005
}

@Article{2005-Rowsell-Yaghi,
	Author = "Jesse L. C. Rowsell and Omar M. Yaghi",
	Title = "{Strategies for Hydrogen Storage in {Metal-Organic} Frameworks}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "44",
	Number = "30",
	Pages = "4670–4679",
	collection = "hydrogen sorption",
	doi = "10.1002/anie.200462786",
	year = 2005
}

@Article{2005-Schmidt-BZSHFWAZSK,
	Author = "Kristin Schmidt and Alexander Böker and Heiko Zettl and Frank Schubert and Helmut Hansel and Franz Fischer and Thomas M. Weiss and Volker Abetz and Andrei V. Zvelindovsky and G. J. Agur Sevink and Georg Krausch",
	Title = "{Influence of Initial Order on the Microscopic Mechanism of Electric Field Induced Alignment of Block Copolymer Microdomains}",
	Journal = "Langmuir",
	Volume = "21",
	Number = "25",
	Pages = "11974–11980",
	collection = "block copolymers",
	doi = "10.1021/la051346w",
	keywords = "block copolymers; electric fields",
	year = 2005
}

@Article{2005-Schultz-HG,
	Author = "Andrew J. Schultz and Carol K. Hall and Jan Genzer",
	Title = "{Computer Simulation of Block {Copolymer/Nanoparticle} Composites}",
	Journal = "Macromolecules",
	Volume = "38",
	Number = "7",
	Pages = "3007–3016",
	Note = "Shows phase diagrams as a function of coplymer block interation and NP volume fraction.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma0496910",
	keywords = "block copolymers; mesophase transitions; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "CG MD",
	year = 2005
}

@Article{2005-Seio-USS,
	Author = "Kohji Seio and Hisashi Ukawa and Koh-ichiro Shohda and Mitsuo Sekine",
	Title = "{Computational evaluation of intermolecular interactions of a universal base 3-nitropyrrole in stacked dimers and DNA duplexes}",
	Journal = "J. Biomol. Struct. Dyn.",
	Volume = "22",
	Number = "6",
	Pages = "735–746",
	Note = "The end result was a force field parametrization of 3NP based on quantum chemical calculations for stacks with canonical bases.",
	collection = "molecular stacking",
	doi = "10.1080/07391102.2005.10507040",
	keywords = "force fields",
	methods = "MP2/6-31G*, CHELPG, AMBER",
	rating = "2",
	read = "2013-05-10",
	systems = "3-nitropyrrole, 3NP, 3NP/guanine, 3NP/adenine, 3NP/cytosine, 3NP/uracil",
	year = 2005
}

@Article{2005-Shenhar-NR,
	Author = "Roy Shenhar and Tyler B. Norsten and Vincent M. Rotello",
	Title = "{Polymer-mediated nanoparticle assembly: structural control and applications}",
	Journal = "Adv. Mater.",
	Volume = "17",
	Number = "6",
	Pages = "657–669",
	collection = "polymer nanocomposites",
	doi = "10.1002/adma.200401291",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2005
}

@Article{2005-Sobczyk-GK,
	Author = "Lucjan Sobczyk and Sławomir J. Grabowski and Tadeusz M. Krygowski",
	Title = "{Interrelation between H-bond an pi-electron delocalization}",
	Journal = "Chem. Rev.",
	Volume = "105",
	Pages = "33513–3560",
	collection = "hydrogen bonding",
	doi = "10.1021/cr030083c",
	year = 2005
}

@Article{2005-Starcevic-KPZSK,
	Author = "Kristina Starčevic and Grace Karminski-Zamola and Ivo Piantanida and Mldaen Žinić and Lidija Šuman and Marijeta Kralji",
	Title = "{Photoinduced switch of a {DNA}/{RNA} inactive molecule into a classical intercalator}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "127",
	Number = "4",
	Pages = "1074–1075",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja0438866",
	year = 2005
}

@Article{2005-Stone,
	Author = "Anthony J. Stone",
	Title = "{Distributed Multipole Analysis: Stability for Large Basis Sets}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "1",
	Number = "6",
	Pages = "1128–1132",
	collection = "molecular electrostatics",
	doi = "10.1021/ct050190",
	shorttitle = "Distributed Multipole Analysis",
	year = 2005
}

@Article{2005-Stratford-APD,
	Author = "K. Stratford and R. Adhikari and Ignacio Pagonabarraga and J.-C. Desplat",
	Title = "{Lattice Boltzmann for binary fluids with suspended colloids}",
	Journal = "J .Stat. Phys.",
	Volume = "121",
	Pages = "163–178",
	collection = "interfaces",
	doi = "10.1007/s10955-005-8411-1",
	keywords = "binary fluids; suspensions",
	methods = "LB",
	year = 2005
}

@Article{2005-Stratford-APDC,
	Author = "K. Stratford and R. Adhikari and Ignacio Pagonabarraga and J.-C. Desplat and M. E. Cates",
	Title = "{Colloidal jamming at interfaces: a route to fluid-bicontinuous gels}",
	Journal = "Science",
	Volume = "309",
	Pages = "2198–2201",
	collection = "jamming",
	doi = "10.1126/science.1116589",
	keywords = "jamming; suspensions",
	year = 2005
}

@Article{2005-Surve-PG,
	Author = "Megha Surve and Victor Pryamitsyn and Venkat Ganesan",
	Title = "{Depletion and pair interactions of proteins in polymer solutions}",
	Journal = "J. Chem. Phys.",
	Volume = "122",
	Pages = "154901",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.187277",
	year = 2005
}

@Article{2005-Tauer-Sherrill,
	Author = "Tony P. Tauer and C. David Sherrill",
	Title = "{Beyond the Benzene Dimer: An Investigation of the Additivity of π-π Interactions}",
	Journal = "J. Phys. Chem. A",
	Volume = "109",
	Pages = "10475–10478",
	collection = "stacking",
	doi = "10.1021/jp0553479",
	year = 2005
}

@Article{2005-Thostenson-LC,
	Author = "Erik T. Thostenson and Chunyu Li and Tsu-Wei Chou",
	Title = "{Nanocomposites in context}",
	Journal = "Compos. Sci. Technol.",
	Volume = "65",
	Pages = "491–516",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.compscitech.2004.11.003",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2005
}

@Article{2005-Toczylowski-Cybulski,
	Author = "Rafał R. Toczyłowski and Sławomir M. Cybulski",
	Title = "{An analysis of the electrostatic interaction between nucleic acid bases}",
	Journal = "J. Chem. Phys.",
	Volume = "123",
	Number = "15",
	Pages = "154312–12",
	collection = "nucleic acid bases",
	doi = "10.1063/1.2069887",
	year = 2005
}

@Article{2005-Tomasi-MC,
	Author = "Jacopo Tomasi and Benedetta Mennucci and Roberto Cammi",
	Title = "{Quantum mechanical continuum solvation models}",
	Journal = "Chem. Rev.",
	Volume = "105",
	Pages = "2999–3093",
	collection = "molecular solvation",
	doi = "10.1021/cr9904009",
	year = 2005
}

@Article{2005-Tripathi-Chapman,
	Author = "Sandeep Tripathi and Walter G. Chapman",
	Title = "{Microstructure and thermodynamics of inhomogeneous polymer blends and solutions}",
	Journal = "Phys. Rev. Lett.",
	Volume = "94",
	Pages = "087801",
	collection = "polymers",
	doi = "10.1103/PhysRevLett.94.087801",
	year = 2005
}

@Article{2005-Tripathi-Chapman-1,
	Author = "Sandeep Tripathi and Walter G. Chapman",
	Title = "{Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures}",
	Journal = "J. Chem. Phys.",
	Volume = "122",
	Pages = "094506",
	collection = "polymers",
	doi = "10.1063/1.1853371",
	year = 2005
}

@Article{2005-Tuttle-KC,
	Author = "Tell Tuttle and Elfi Kraka and Dieter Cremer",
	Title = "{Docking, Triggering, and Biological Activity of Dynemicin A in {DNA:} A Computational Study}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "127",
	Number = "26",
	Pages = "9469–9484",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja046251f",
	shorttitle = "Docking, Triggering, and Biological Activity of Dynemicin A in {DNA}",
	year = 2005
}

@Article{2005-Verberg-YB,
	Author = "Rolf Verberg and Julia M. Yeomans and Anna C. Balazs",
	Title = "{Modeling the flow of fluid/particle mixtures in microchannels: encapsulating nanoparticles within monodisperse droplets}",
	Journal = "J. Chem. Phys.",
	Volume = "123",
	Pages = "224706",
	collection = "interfaces",
	doi = "10.1063/1.2133733",
	keywords = "binary fluids; hydrodynamics; nanospheres; suspensions",
	methods = "LB, BD",
	year = 2005
}

@Article{2005-Vladescu-MRW,
	Author = "Ioana D. Vladescu and Micah J. {McCauley} and Ioulia Rouzina and Mark C. Williams",
	Title = "{Mapping the Phase Diagram of Single {DNA} Molecule {Force-Induced} Melting in the Presence of Ethidium}",
	Journal = "Phys. Rev. Lett.",
	Volume = "95",
	Number = "15",
	Pages = "158102",
	collection = "nucleic acid intercalation",
	doi = "10.1103/PhysRevLett.95.158102",
	year = 2005
}

@Article{2005-Weck-Balakrishnan,
	Author = "P F Weck and N Balakrishnan",
	Title = "{Quantum dynamics of the Li + {HF} –> H + {LiF} reaction at ultralow temperatures}",
	Journal = "J. Chem. Phys.",
	Volume = "122",
	Number = "15",
	Pages = "154309",
	collection = "molecular reactions",
	doi = "10.1063/1.1884115",
	year = 2005
}

@Article{2005-Xiao-Cushman,
	Author = "Xiangshu Xiao and Mark Cushman",
	Title = "{An Ab Initio Quantum Mechanics Calculation that Correlates with Ligand Orientation and {DNA} Cleavage Site Selectivity in {Camptothecin−DNA−Topoisomerase} I Ternary Cleavage Complexes}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "127",
	Number = "28",
	Pages = "9960–9961",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja042485n",
	year = 2005
}

@Article{2005-Xu-ZSLJR,
	Author = "Ting Xu and Andrei V. Zvelindovsky and G. J. Agur Sevink and Kateryna S. Lyakhova and Hiroshi Jinnai and Thomas P. Russell",
	Title = "{Electric Field Alignment of Asymmetric Diblock Copolymer Thin Films}",
	Journal = "Macromolecules",
	Volume = "38",
	Number = "26",
	Pages = "10788–10798",
	collection = "block copolymers",
	doi = "10.1021/ma050521c",
	keywords = "block copolymers; electric fields; thin films",
	year = 2005
}

@Article{2005-Yeh-WSJL,
	Author = "Siao-Wei Yeh and Kung-Hwa Wei and Ya-Sen Sun and U-Ser Jeng and Keng S. Liang",
	Title = "{CdS nanoparticles induce a morphological transformation of poly(styryne-b-4-vinylpyridine) from hexagonally packed cylinders to a lamellar structure}",
	Journal = "Macromolecules",
	Volume = "38",
	Pages = "6559–6565",
	Note = "Demonstrates hexagonal-to-lamellar transition of P4VP domains in S4CP copolymer loaded with CdS nanoparticles.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma047653a",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites; thin films",
	methods = "DSC, NMR, SAXS, AFM, TEM",
	systems = "CdS@PS-P4VP",
	year = 2005
}

@Article{2005-Yildirim-Turner,
	Author = "Ilyas Yildirim and Douglas H. Turner",
	Title = "{{RNA} Challenges for Computational Chemists}",
	Journal = "Biochemistry",
	Volume = "44",
	Number = "40",
	Pages = "13225–13234",
	collection = "nucleic acids",
	doi = "10.1021/bi051236o",
	year = 2005
}

@Article{2005-Zhang-XBMRER,
	Author = "Qingling Zhang and Ting Xu and David Butterfield and Matthew J. Misner and Du Yoel Ryu and Todd Emrick and Thomas P. Russell",
	Title = "{Controlled placement of CdSe nanoparticles in diblock copolymer templates by electrophoretic deposition}",
	Journal = "Nano Lett.",
	Volume = "5",
	Number = "2",
	Pages = "357–361",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nl048103t",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "TEM, photoluminescence",
	rating = "2",
	read = "2012-03-21",
	systems = "CdSe-{theocarboxylic acid}@PS-PMMA",
	year = 2005
}

@Article{2006-Alonso-ACCRM,
	Author = "Angel Alonso and María Jesús Almendral and Y. Curto and Julio J. Criado and Emilio Rodríguez and Juan Luis Manzano",
	Title = "{Determination of the {DNA}-binding characteristics of ethidium bromide, proflavine, and cisplatin by flow injection analysis: Usefulness in studies on antitumor drugs}",
	Journal = "Anal. Biochem.",
	Volume = "355",
	Number = "2",
	Pages = "157–164",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.ab.2006.06.004",
	keywords = "nucleic acid intercalation",
	year = 2006
}

@Article{2006-Amari-AZFMINCN,
	Author = "Shinji Amari and M. Aizawa and J. W. Zhang and Kaori Fukuzawa and Yuji Mochizuki and Y. Iwasawa and Kotoko Nakata and H. Chuman and Tatsuya Nakano",
	Title = "{V{ISCANA}: {V}isualized cluster analysis of protein-ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening}",
	Journal = "J. Chem. Inf. Model.",
	Volume = "46",
	Number = "1",
	Pages = "221 – 230",
	collection = "cheminformatics",
	year = 2006
}

@Article{2006-Antony-Grimme,
	Author = "Jens Antony and Stefan Grimme",
	Title = "{Density functional theory including dispersion corrections for intermolecular interactions in a large benchmark set of biologically relevant molecules}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "8",
	Pages = "5287–5293",
	collection = "molecular interactions",
	doi = "10.1039/b612585a",
	year = 2006
}

@Article{2006-Arkhipov-FS,
	Author = "Anton S. Arkhipov and Peter L. Freddolino and Klaus Schulten",
	Title = "{Stability and dynamics of virus capsids described by coarse-grained modeling}",
	Journal = "Structure",
	Volume = "14",
	Pages = "1767–1777",
	collection = "viruses",
	doi = "10.1016/j.str.2006.10.003",
	year = 2006
}

@Article{2006-Aslanoglu,
	Author = "Mehmet Aslanoglu",
	Title = "{Electrochemical and spectroscopic studies of the interaction of proflavine with {DNA}}",
	Journal = "Anal. Sci.",
	Volume = "22",
	Pages = "439–443",
	collection = "nucleic acid intercalation",
	doi = "10.2116/analsci.22.439",
	year = 2006
}

@Article{2006-Babin-BDS,
	Author = "Volodymyr Babin and Jason Baucom and Thomas A. Darden and Celeste Sagui",
	Title = "{Molecular dynamics simulations of DNA with polarizable force fields: convergence of an ideal B-DNA structure to the crystallographic structure}",
	Journal = "J. Phys. Chem. B",
	Volume = "110",
	Pages = "11571–11581",
	collection = "nucleic acids",
	doi = "10.1021/jp061421r",
	year = 2006
}

@Article{2006-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Pauli Repulsions Exist Only in the Eye of the Beholder}",
	Journal = "Chem. Eur. J.",
	Volume = "12",
	Number = "10",
	Pages = "2896–2901",
	collection = "molecular interactions",
	doi = "10.1002/chem.200501589",
	year = 2006
}

@Article{2006-Balaban-Klein,
	Author = "A.T. Balaban and D.J. Klein",
	Title = "{Is chemistry 'The Central Science'? How are different sciences related? Co-citation, reductionism, emergence, and posets}",
	Journal = "Scientometrics",
	Volume = "69",
	Number = "3",
	Pages = "615–637",
	collection = "philosophy",
	doi = "10.1007/s11192-006-0173-2",
	year = 2006
}

@Article{2006-Balazs-ER,
	Author = "Anna C. Balazs and Todd Emrick and Thomas P. Russell",
	Title = "{Nanoparticle Polymer Composites: Where Two Small Worlds Meet}",
	Journal = "Science",
	Volume = "314",
	Number = "5802",
	Pages = "1107–1110",
	collection = "polymer nanocomposites",
	doi = "10.1126/science.1130557",
	keywords = "polymer nanocomposites",
	rating = "2",
	shorttitle = "Nanoparticle Polymer Composites",
	type = "Review",
	year = 2006
}

@Article{2006-Buda-Dunietz,
	Author = "Corneliu Buda and Barry D. Dunietz",
	Title = "{Hydrogen Physisorption on the Organic Linker in Metal Organic Frameworks: Ab Initio Computational Study}",
	Journal = "J. Phys. Chem. B",
	Volume = "110",
	Number = "21",
	Pages = "10479–10484",
	collection = "hydrogen sorption",
	doi = "10.1021/jp061249r",
	shorttitle = "Hydrogen Physisorption on the Organic Linker in Metal Organic Frameworks",
	year = 2006
}

@Article{2006-Burge-PHTN,
	Author = "Sarah Burge and Gary N. Parkinson and Pascale Hazel and Alan K. Todd and Stephen Neidle",
	Title = "{Quadruplex {DNA:} sequence, topology and structure}",
	Journal = "Nucl. Acids Res.",
	Volume = "34",
	Number = "19",
	Pages = "5402–5415",
	collection = "nucleic acids",
	doi = "10.1093/nar",
	shorttitle = "Quadruplex {DNA}",
	year = 2006
}

@Article{2006-Chaires,
	Author = "Jonathan B. Chaires",
	Title = "{A thermodynamic signature for drug-DNA binding mode}",
	Journal = "Arch. Biochem. Biophys.",
	Volume = "453",
	Number = "1",
	Pages = "26–31",
	collection = "nucleic acid drugs",
	doi = "10.1016/j.abb.2006.03.027",
	year = 2006
}

@Article{2006-Chan-HG,
	Author = "Elaine R. Chan and Lin C. Ho and Sharon C. Glotzer",
	Title = "{Computer simulations of block copolymer tethered nanoparticle self-assembly}",
	Journal = "J. Chem. Phys.",
	Volume = "125",
	Number = "6",
	Pages = "064905",
	Note = "Demonstrates various structures of diblock-tethered NPs for different A/B block fractions.",
	collection = "nanoparticles",
	doi = "10.1063/1.2241151",
	keywords = "nanoparticle grafts",
	year = 2006
}

@Article{2006-Condon,
	Author = "Anne Condon",
	Title = "{Designed {DNA} molecules: principles and applications of molecular nanotechnology}",
	Journal = "Nat. Rev. Genetics",
	Volume = "7",
	Number = "7",
	Pages = "565–575",
	collection = "nucleic acids",
	doi = "10.1038/nrg1892",
	shorttitle = "Designed {DNA} molecules",
	year = 2006
}

@Article{2006-Daoulas-MPNS,
	Author = "Kostas Ch. Daoulas and Marcus Müller and Juan J. {de Pablo} and Paul F. Nealey and Grant D. Smith",
	Title = "{Morphologies of multi-component polymer systems: single chain in mean field simulation studies}",
	Journal = "Soft Matter",
	Volume = "2",
	Pages = "573–583",
	Note = "methods: MC with mean fields",
	collection = "block copolymers",
	doi = "10.1039/b602610a",
	keywords = "block copolymers",
	methods = "SCMF",
	rating = "2",
	read = "2011-05-02",
	year = 2006
}

@Article{2006-Daoulas-Muller,
	Author = "Kostas Ch. Daoulas and Marcus Müller",
	Title = "{Single chain in mean field simulations: quasi-instantaneous field approximation and quantitative comparison with Monte Carlo simulations}",
	Journal = "J. Chem. Phys.",
	Volume = "125",
	Pages = "184904",
	Note = "methods: MC with mean fields",
	collection = "block copolymers",
	doi = "10.1063/1.2364506",
	keywords = "block copolymers",
	year = 2006
}

@Article{2006-Dickman,
	Author = "Mark J. Dickman",
	Title = "{Post column nucleic acid intercalation for the fluorescent detection of nucleic acids using ion pair reverse phase high-performance liquid chromatography}",
	Journal = "Anal. Biochem.",
	Volume = "360",
	Pages = "282–287",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.ab.2006.09.034",
	year = 2007
}

@Article{2006-Fedorov-Kitaura,
	Author = "Dmitri G. Fedorov and Kazuo Kitaura",
	Title = "{The three-body fragment molecular orbital method for accurate calculations of large systems}",
	Journal = "Chem. Phys. Lett.",
	Volume = "433",
	Number = "1-3",
	Pages = "182 – 187",
	collection = "molecular fragmentation",
	doi = "10.1016/j.cplett.2006.10.052",
	methods = "FMO",
	year = 2006
}

@Article{2006-Feldkamp-Niemeyer,
	Author = "Udo Feldkamp and Christof M. Niemeyer",
	Title = "{Rational Design of {DNA} Nanoarchitectures}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "45",
	Number = "12",
	Pages = "1856–1876",
	collection = "nucleic acids",
	doi = "10.1002/anie.200502358",
	year = 2006
}

@Article{2006-Freddolino-ALMS,
	Author = "Peter L. Freddolino and Anton S. Arkhipov and Steven B. Larson and Alexander McPherson and Klaus Schulten",
	Title = "{Molecular dynamics simulations of the complete satellite tobacco mosaic virus}",
	Journal = "Structure",
	Volume = "14",
	Pages = "437–449",
	collection = "viruses",
	doi = "10.1016/j.str.2005.11.014",
	year = 2006
}

@Article{2006-Fukuzawa-KMKNT,
	Author = "Kaori Fukuzawa and Y. Komeiji and Yuji Mochizuki and A. Kato and Tatsuya Nakano and Shigenori Tanaka",
	Title = "{Intra- and intermolecular interactions between cyclic-{AMP} receptor protein and {DNA}: {A}b initio fragment molecular orbital study}",
	Journal = "J. Comp. Chem.",
	Volume = "27",
	Number = "8",
	Pages = "948 – 960",
	collection = "proteins",
	doi = "10.1002/jcc.20399",
	year = 2006
}

@Article{2006-Fukuzawa-MTKN,
	Author = "Kaori Fukuzawa and Yuji Mochizuki and Shigenori Tanaka and Kazuo Kitaura and Tatsuya Nakano",
	Title = "{Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method}",
	Journal = "J. Phys. Chem. B",
	Volume = "110",
	Number = "32",
	Pages = "16102 – 16110",
	collection = "molecular signaling",
	year = 2006
}

@Article{2006-Galano-Alvarez-Idaboy,
	Author = "Annia Galano and J. Raúl Alvarez-Idaboy",
	Title = "{A new approach to counterpoise correction to {BSSE}}",
	Journal = "J. Comp. Chem.",
	Volume = "27",
	Number = "11",
	Pages = "1203 – 1210",
	collection = "basis set superposition",
	doi = "10.1002/jcc.20438",
	keywords = "counterpoise correction",
	year = 2006
}

@Article{2006-Ganesan-PSN,
	Author = "Venkat Ganesan and Victor Pryamitsyn and Megha Surve and Bharadwaj Narayanan",
	Title = "{Noncontinuum effects in nanoparticle dynamics in polymers}",
	Journal = "J. Chem. Phys.",
	Volume = "124",
	Pages = "221102",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.2209241",
	year = 2006
}

@Article{2006-Garden-LK,
	Author = "Anna L. Garden and Joseph R. Lane and Henrik G. Kjaergaard",
	Title = "{Counterpoise corrected geometries of hydrated complexes}",
	Journal = "J. Chem. Phys.",
	Volume = "125",
	Number = "14",
	Pages = "144317–7",
	collection = "basis set superposition",
	doi = "10.1063/1.2357932",
	year = 2006
}

@Article{2006-Guha-HHMRSWW,
	Author = "Rajarshi Guha and Michael T. Howard and Geoffrey R. Hutchison and Peter {Murray-Rust} and Henry Rzepa and Christoph Steinbeck and Jörg Wegner and Egon L. Willighagen",
	Title = "{The Blue {Obelisk–Interoperability} in Chemical Informatics}",
	Journal = "J. Chem. Inf. Model.",
	Volume = "46",
	Number = "3",
	Pages = "991–998",
	collection = "cheminformatics",
	doi = "10.1021/ci050400b",
	rating = "2",
	read = "2011-01-20",
	year = 2006
}

@Article{2006-Gupta-ZEBR,
	Author = "Suresh Gupta and Qingling Zhang and Todd Emrick and Anna C. Balazs and Thomas P. Russell",
	Title = "{Entropy-driven segregation of nanoparticles to cracks in multilayered composite polymer structures}",
	Journal = "Nature Mat.",
	Volume = "5",
	Pages = "229–234",
	collection = "polymer nanocomposites",
	keywords = "healing; nanoparticle distribution; nanospheres; polymer nanocomposites",
	year = 2006
}

@Article{2006-Hall-LFB,
	Author = "David M. Hall and Turab Lookman and Glenn H. Fredrickson and Sanjoy Banerjee",
	Title = "{Hydrodynamic self-consistent field theory for inhomogeneous polymer melts}",
	Journal = "Phys. Rev. Lett.",
	Volume = "97",
	Pages = "114501",
	archiveprefix = "arXiv",
	collection = "block copolymers",
	doi = "10.1103/PhysRevLett.97.114501",
	eprint = "cond-mat/0603769v2",
	keywords = "block copolymers; hydrodynamics; polymer blends; rheology",
	methods = "HSCFT",
	primaryclass = "cond-mat.soft",
	rating = "2",
	year = 2006
}

@Article{2006-Haryono-Binder,
	Author = "Agus Haryono and Wolfgang H. Binder",
	Title = "{{Controlled arrangement of nanoparticle arrays in block-copolymer domains}tech}",
	Journal = "Small",
	Volume = "2",
	Number = "5",
	Pages = "600–611",
	Note = "Contains opinion that the technological application of BCP nanocomposites are in their infancy (quoted in my 2012 Soft Matter review).",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/smll.200500474",
	keywords = "block copolymers; polymer nanocomposites",
	rating = "2",
	type = "Review",
	year = 2006
}

@Article{2006-Hesselmann-JS,
	Author = "Andreas Heßelmann and Georg Jansen and Martin Schütz",
	Title = "{{Interaction energy contributions of {H}-bonded and stacked structures of the {AT} and {GC} {DNA} base pairs} from the combined density functional theory and intermolecular perturbation theory approach}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "128",
	Pages = "11730–11731",
	collection = "nucleic acid bases",
	doi = "10.1021/ja0633363",
	keywords = "hydrogen bonding; aromatic stacking",
	year = 2006
}

@Article{2006-Hill-PW,
	Author = "J. Grant Hill and James A. Platts and {Hans-Joachim} Werner",
	Title = "{Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "8",
	Number = "35",
	Pages = "4072",
	collection = "stacking",
	doi = "10.1039/b608623c",
	year = 2006
}

@Article{2006-Hobza-ZM,
	Author = "Pavel Hobza and Rudolf Zahradnik and Klaus {Muller-Dethlefs}",
	Title = "{The World of {Non-Covalent} Interactions: 2006}",
	Journal = "Coll. Czech. Chem. Comm.",
	Volume = "71",
	Number = "4",
	Pages = "443–531",
	collection = "molecular interactions",
	doi = "10.1135/cccc20060443",
	shorttitle = "The World of {Non-Covalent} Interactions",
	year = 2006
}

@Article{2006-Hooper-Schweizer,
	Author = "Justin B. Hooper and Kenneth S. Schweizer",
	Title = "{Theory of phase separation in polymer nanocomposites}",
	Journal = "Macromolecules",
	Volume = "39",
	Pages = "5133–5142",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma060577m",
	keywords = "polymer nanocomposites",
	year = 2006
}

@Article{2006-Horowitz-Hud,
	Author = "Eric D. Horowitz and Nicholas V. Hud",
	Title = "{Ethidium and Proflavine Binding to a {2‘,5‘-Linked} {RNA} Duplex}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "128",
	Number = "48",
	Pages = "15380–15381",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja065339l",
	year = 2006
}

@Article{2006-Huang-BB,
	Author = "X. C. Huang and B. J. Braams and J. M. Bowman",
	Title = "{Ab initio potential energy and dipole moment surfaces of ({H}2{O})(2)}",
	Journal = "J. Phys. Chem. A",
	Volume = "110",
	Number = "2",
	Pages = "445 – 451",
	collection = "hydrogen bonding",
	doi = "10.1021/jp053583d",
	year = 2006
}

@Article{2006-Ishikawa-MNAMHFTTKFTM,
	Author = "Takeshi Ishikawa and Yuji Mochizuki and Tatsuya Nakano and Shinji Amari and H. Mori and H. Honda and T. Fujita and H. Tokiwa and Shigenori Tanaka and Y. Komeiji and Kaori Fukuzawa and K. Tanaka and E. Miyoshi",
	Title = "{Fragment molecular orbital calculations on large scale systems containing heavy metal atom}",
	Journal = "Chem. Phys. Lett.",
	Volume = "427",
	Number = "1-3",
	Pages = "159 – 165",
	collection = "nucleic acid drugs",
	year = 2006
}

@Article{2006-Ishimura-PN,
	Author = "Kazuya Ishimura and Peter Pulay and Shigeru Nagase",
	Title = "{A new parallel algorithm of {MP2} energy calculations}",
	Journal = "J. Comp. Chem.",
	Volume = "27",
	Number = "4",
	Pages = "407–413",
	collection = "quantum chemistry",
	doi = "10.1002/jcc.20348",
	keywords = "algorithms",
	methods = "MP2",
	year = 2006
}

@Article{2006-Jurecka-SCH,
	Author = "Petr Jurečka and Jiří Šponer and Jiří Černý and Pavel Hobza",
	Title = "{Benchmark database of accurate {(MP2} and {CCSD(T)} complete basis set limit) interaction energies of small model complexes, {DNA} base pairs, and amino acid pairs}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "8",
	Number = "17",
	Pages = "1985",
	collection = "molecular interactions",
	doi = "10.1039/b600027d",
	year = 2006
}

@Article{2006-Kim-BHK,
	Author = "Bumjoon J. Kim and Joona Bang and Craig J. Hawker and Edward J. Kramer",
	Title = "{Effect of areal chain density on the location of polymer-modified gold nanoparticles in a block copolymer template}",
	Journal = "Macromolecules",
	Volume = "39",
	Pages = "4108–4114",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma060308w",
	keywords = "block copolymers; nanoparticle distribution; nanoparticle grafts; nanospheres; polymer nanocomposites",
	methods = "TEM, gravimetry",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-PS@PS-P2VP",
	year = 2006
}

@Article{2006-Kubar-HRH,
	Author = "Tomáš Kubař and Michal Hanus and Filip Ryjáček and Pavel Hobza",
	Title = "{Binding of cationic and neutral phenanthridine intercalators to a {DNA} oligomer is controlled by dispersion energy: quantum chemical calculations and molecular mechanics simulations}",
	Journal = "Chem. Eur. J.",
	Volume = "12",
	Number = "1",
	Pages = "280–290",
	collection = "nucleic acid intercalation",
	doi = "10.1002/chem.200500725",
	shorttitle = "Binding of Cationic and Neutral Phenanthridine Intercalators to a {DNA} Oligomer Is Controlled by Dispersion Energy",
	year = 2006
}

@Article{2006-Lin-Schick,
	Author = "Chin-Yet Lin and M. Schick",
	Title = "{Self-consistent field study of the alignment by an electric field of a cylindrical phase of block copolymer}",
	Journal = "J. Chem. Phys.",
	Volume = "125",
	Pages = "034902",
	collection = "block copolymers",
	doi = "10.1063/1.2214718",
	keywords = "block copolymers; electric fields",
	methods = "SCFT",
	year = 2006
}

@Article{2006-Listak-Bockstaller,
	Author = "Jessica Listak and Michael R. Bockstaller",
	Title = "{Stabilization of grain boundary morphologies in lamellar block copolymer-nanoparticle blends}",
	Journal = "Macromolecules",
	Volume = "39",
	Pages = "5820–5825",
	Note = "Shows evidence of swelling high elastic energy grain boundary regions by selective PS-coated NPs in a deformed PS-PEP BCP.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma060778q",
	keywords = "block copolymers; healing; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "TGA, NMR, TEM",
	systems = "Au-PS@PS-PEP",
	year = 2006
}

@Article{2006-Lo-LWT,
	Author = "Chieh-Tsung Lo and Byeongdu Lee and Randall E. Winans and Pappanan Thiyagarajan",
	Title = "{Effect of dispersion of inorganic nanoparticles on the phase behavior of block copolymer in a selective solvent}",
	Journal = "Macromolecules",
	Volume = "39",
	Pages = "6318–6320",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma060879o",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SANS",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-PS@PS-P2VP",
	year = 2006
}

@Article{2006-Lochan-Head-Gordon,
	Author = "Rohini C. Lochan and Martin Head-Gordon",
	Title = "{Computational studies of molecular hydrogen binding affinities: The role of dispersion forces, electrostatics, and orbital interactions}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "8",
	Number = "12",
	Pages = "1357",
	collection = "hydrogen sorption",
	doi = "10.1039/b515409j",
	shorttitle = "Computational studies of molecular hydrogen binding affinities",
	year = 2006
}

@Article{2006-Lyakhova-ZS,
	Author = "Kateryna S. Lyakhova and Andrei V. Zvelindovsky and G. J. Agur Sevink",
	Title = "{Kinetic Pathways of {Order-to-Order} Phase Transitions in Block Copolymer Films under an Electric Field}",
	Journal = "Macromolecules",
	Volume = "39",
	Number = "8",
	Pages = "3024–3037",
	collection = "block copolymers",
	doi = "10.1021/ma060143r",
	keywords = "block copolymers; electric fields; mesophase transitions; thin films",
	methods = "DDFT",
	year = 2006
}

@Article{2006-Matsen,
	Author = "Mark W. Matsen",
	Title = "{Undulation instability in block-copolymer lamellae subjected to a perpendicular electric field}",
	Journal = "Soft Matter",
	Volume = "2",
	Pages = "1048–1056",
	collection = "block copolymers",
	doi = "10.1039/b611064a",
	keywords = "block copolymers; electric fields",
	year = 2006
}

@Article{2006-Matta-Bader,
	Author = "Richard F. W. Bader and Chérif F. Matta",
	Title = "{An Experimentalist's Reply to 'What is an atom in a molecule?'}",
	Journal = "J. Phys. Chem. A",
	Volume = "110",
	Pages = "6365–6371",
	collection = "molecular fragmentation",
	doi = "10.1021/jp060761",
	year = 2006
}

@Article{2006-Moniruzzaman-Winey,
	Author = "Mohammad Moniruzzaman and Karen I. Winey",
	Title = "{Polymer nanocomposites containing carbon nanotubes}",
	Journal = "Macromolecules",
	Volume = "39",
	Pages = "5194–5205",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma060733p",
	keywords = "fullerenes; polymer nanocomposites",
	type = "Review",
	year = 2006
}

@Article{2006-Pachucki-Komasa,
	Author = "Krzysztof Pachucki and Jacek Komasa",
	Title = "{Radiative correction to the helium dimer interaction energy}",
	Journal = "J. Chem. Phys.",
	Volume = "124",
	Number = "6",
	collection = "molecular interactions",
	doi = "10.1063/1.2166017",
	size = "4 p.",
	year = 2006
}

@Article{2006-Panek-WLL,
	Author = "Jarosław J. Panek and Piotr K. Wawrzyniak and Zdzisław Latajka and Jan Lundell",
	Title = "{Interaction energy decomposition analysis for formic acid complexes with argon and krypton atoms}",
	Journal = "Chem. Phys. Lett.",
	Volume = "417",
	Pages = "100–104",
	collection = "molecular interactions",
	doi = "10.1016/j.cplett.2005.09.129",
	year = 2006
}

@Article{2006-Park-CPH,
	Author = "Moon Jeung Park and Kookheon Char and Jongnam Park and Taeghwan Hyeon",
	Title = "{Effect of the casting solvent on the morphology of poly(styrene-b-isoprene) diblock copolymer-magnetic nanoparticle mixtures}",
	Journal = "Langmuir",
	Volume = "22",
	Number = "4",
	Pages = "1375–1378",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/la052218a",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SAXS, TEM, DSC",
	rating = "2",
	read = "2012-03-21",
	year = 2006
}

@Article{2006-Perlovsky,
	Author = "Leonid I. Perlovsky",
	Title = "{Toward physics of the mind: concepts, emotions, consciousness, and symbols}",
	Journal = "Physics of Life Reviews",
	Volume = "3",
	Pages = "23–55",
	collection = "neuroscience",
	keywords = "creativity",
	read = "2013-08-01",
	year = 2006
}

@Article{2006-Pinna-ZTG,
	Author = "Marco Pinna and Andrei V. Zvelindovsky and S. Todd and G. Goldbeck-Wood",
	Title = "{Cubic phases of block copolymers under shear and electric fields by cell dynamics simulation. I. Spherical phase}",
	Journal = "J. Chem. Phys.",
	Volume = "125",
	Pages = "154905",
	collection = "block copolymers",
	doi = "10.1063/1.2356468",
	year = 2006
}

@Article{2006-Poater-SB,
	Author = "Jordi Poater and Miquel Sola and F. Matthias Bickelhaupt",
	Title = "{A model of the chemical bond must be rooted in quantum mechanics, provide insight, and possess predictive power}",
	Journal = "Chem. Eur. J.",
	Volume = "12",
	Pages = "2902–2905",
	collection = "molecular structure",
	doi = "10.1002/chem.200600057",
	year = 2006
}

@Article{2006-Pryamitsyn-Ganesan,
	Author = "Victor Pryamitsyn and Venkat Ganesan",
	Title = "{Origins of linear viscoelastic behavior of polymer-nanoparticle composites}",
	Journal = "Macromolecules",
	Volume = "39",
	Pages = "844–856",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma051841z",
	year = 2006
}

@Article{2006-Pryamitsyn-Ganesan-1,
	Author = "Victor Pryamitsyn and Venkat Ganesan",
	Title = "{Strong segregation theory of block copolymer-nanoparticle composites}",
	Journal = "Macromolecules",
	Volume = "39",
	Pages = "8499–8510",
	Note = "Shows that lammellae contract for nonselective NPs in diblock lammellae.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma0613382",
	keywords = "block copolymers; mechanical properties; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SST, DPD",
	year = 2006
}

@Article{2006-Qian-Krimm,
	Author = "Weili Qian and Samuel Krimm",
	Title = "{Charge density treatment of the molecule-charge interaction and its relation to the electrical component of hydrogen bonding: accuracy and distance dependence}",
	Journal = "J. Mol. Struct.",
	Volume = "766",
	Pages = "93–104",
	collection = "hydrogen bonding",
	doi = "10.1016/j.theochem.2006.03.044",
	year = 2006
}

@Article{2006-Rafat-Popelier,
	Author = "Michel Rafat and Paul L. A. Popelier",
	Title = "{A convergent multipole expansion for 1,3 and 1,4 Coulomb interactions}",
	Journal = "J. Chem. Phys.",
	Volume = "124",
	Number = "14",
	Pages = "144102–7",
	collection = "molecular electrostatics",
	doi = "10.1063/1.2186993",
	keywords = "multipole expansion",
	year = 2006
}

@Article{2006-Rafat-SP,
	Author = "Michel Rafat and Majeed Shaik and Paul L. A. Popelier",
	Title = "{Transferability of Quantum Topological Atoms in Terms of Electrostatic Interaction Energy}",
	Journal = "J. Phys. Chem. A",
	Volume = "110",
	Number = "50",
	Pages = "13578–13583",
	collection = "molecular fragmentation",
	doi = "10.1021/jp0652190",
	year = 2006
}

@Article{2006-Ren-Ma,
	Author = "Chun-lai Ren and Yu-quang Ma",
	Title = "{Phase behavior in thin films of confined colloid-polymer mixtures}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "128",
	Pages = "2733–2737",
	collection = "polymer nanocomposites",
	doi = "10.1021/ja057569q",
	keywords = "thin films; polymer nanocomposites",
	year = 2006
}

@Article{2006-Rutledge-CHW,
	Author = "Lesley R. Rutledge and Lachlan S. {Campbell-Verduyn} and Ken C. Hunter and Stacey D. Wetmore",
	Title = "{Characterization of {Nucleobase−Amino} Acid Stacking Interactions Utilized by a {DNA} Repair Enzyme}",
	Journal = "J. Phys. Chem. B",
	Volume = "110",
	Number = "39",
	Pages = "19652–19663",
	collection = "nucleic acid bases",
	doi = "10.1021/jp061939v",
	year = 2006
}

@Article{2006-Sides-KKF,
	Author = "Scott W. Sides and Bumjoon J. Kim and Edward J. Kramer and Glenn H. Fredrickson",
	Title = "{Hybrid particle-field simulations of polymer nanocomposites}",
	Journal = "Phys. Rev. Lett.",
	Volume = "96",
	Pages = "250601",
	Note = "Introduces the HPF method, and compares a 2D model to PS-b-P2VP with PS-coated Au nanoparticles.",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevLett.96.250601",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites",
	methods = "SCFT/BD",
	systems = "Au-PS@PS-P2VP",
	year = 2006
}

@Article{2006-Sinnokrot-Sherrill,
	Author = "Mutasem Omar Sinnokrot and C. David Sherrill",
	Title = "{High-accuracy quantum mechanical studies of π-π interactions in benzene dimers}",
	Journal = "J. Phys. Chem. A",
	Volume = "110",
	Pages = "10656–10668",
	collection = "molecular stacking",
	doi = "10.1021/jp0610416",
	keywords = "benzene",
	methods = "CCSD(T), MP2",
	systems = "benzene dimer",
	year = 2006
}

@Article{2006-Sponer-JMLOH,
	Author = "Jiří Šponer and Petr Jurečka and Ivan Marchan and F. Javier Luque and M. Orozco and Pavel Hobza",
	Title = "{Nature of base stacking: reference quantum-checmial stacking energies in ten unique {B-DNA} base pair steps}",
	Journal = "Chem. Eur. J.",
	Volume = "12",
	Pages = "2854–2865",
	collection = "stacking",
	doi = "10.1002/chem.200501239",
	year = 2006
}

@Article{2006-Spontak-SBKHSBR,
	Author = "Richard J. Spontak and Ravi Shankar and Michelle K. Bowman and Arjun S. Krishnan and Mark W. Hamersky and Jon Samseth and Michael R. Bockstaller and Kim O. Rasmussen",
	Title = "{Selectivity- and size-induced segregation of molecular and nanoscale species in microphase-ordered triblock copolymers}",
	Journal = "Nano Lett.",
	Volume = "6",
	Number = "9",
	Pages = "2115–2120",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nl061205u",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SCFT",
	rating = "2",
	read = "2012-03-21",
	year = 2006
}

@Article{2006-Sun-JLYW,
	Author = "Ya-Sen Sun and U-Ser Jeng and Keng S. Liang and Siao-Wei Yeh and Kung-Hwa Wei",
	Title = "{Transitions of domain ordering and domain size in a spherical-forming polystyrene-block-poly(ethylene oxide) copolymer and its composites with colloidal cadmium sulfide quantum dots}",
	Journal = "Polymer",
	Volume = "47",
	Pages = "1101–1107",
	Note = "Shows changes in PS-b-SE thermal stability and morphology at high temperatures after loading the PEO phase with CdS quantum dots.",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.polymer.2005.12.055",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites",
	methods = "SAXS, TEM",
	systems = "CdS@PS-PEO",
	year = 2006
}

@Article{2006-Surve-PG,
	Author = "Megha Surve and Victor Pryamitsyn and Venkat Ganesan",
	Title = "{Nanoparticles in solutions of adsorbing polymers: pair interactions, percolation, and phase behavior}",
	Journal = "Langmuir",
	Volume = "22",
	Pages = "969–981",
	collection = "polymer nanocomposites",
	doi = "10.1021/la052422y",
	year = 2006
}

@Article{2006-Swenson-JD,
	Author = "D Swenson and H Jaeger and C Dykstra",
	Title = "{Clustering of molecular hydrogen around benzene}",
	Journal = "Chem. Phys.",
	Volume = "326",
	Number = "2-3",
	Pages = "329–334",
	collection = "hydrogen sorption",
	doi = "10.1016/j.chemphys.2006.02.009",
	keywords = "benzene",
	year = 2006
}

@Article{2006-Tarzia-DGPTRLPMKP,
	Author = "Giorgio Tarzia and Andrea Duranti and Giuseppe Gatti and Giovanni Piersanti and Andrea Tontini and Silvia Rivara and Alessio Lodola and Pier Vencenzo Plazzi and Marco Mor and Satish Kathuria and Daniele Piomelli",
	Title = "{Synthesis and Structure–Activity Relationships of FAAH Inhibitors: Cyclohexylcarbamic Acid Biphenyl Esters with Chemical Modulation at the Proximal Phenyl Ring}",
	Journal = "ChemMedChem",
	Volume = "1",
	Pages = "130–139",
	collection = "enzymes",
	doi = "10.1002/cmdc.200500017",
	systems = "FAAH",
	year = 2006
}

@Article{2006-Tsori-ALS,
	Author = "Yoav Tsori and David Andelman and Chin-Yet Lin and M. Schick",
	Title = "{Block copolymers in electric fields: a comparison of single-mode and self-consistent-field approximations}",
	Journal = "Macromolecules",
	Volume = "39",
	Pages = "289–293",
	collection = "block copolymers",
	doi = "10.1021/ma051715v",
	keywords = "block copolymers; electric fields",
	methods = "SCFT",
	rating = "2",
	read = "2012-01-25",
	year = 2006
}

@Article{2006-Tubert-Brohman-AJ,
	Author = "Ivan {Tubert-Brohman} and Orlando Acevedo and William L. Jorgensen",
	Title = "{Elucidation of Hydrolysis Mechanisms for Fatty Acid Amide Hydrolase and Its {Lys142Ala} Variant via {QM/MM} Simulations}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "128",
	Number = "51",
	Pages = "16904–16913",
	collection = "enzymes",
	doi = "10.1021/ja065863s",
	year = 2006
}

@Article{2006-Vanommerlaeghe-MLTG,
	Author = "K. Vanommeslaeghe and Pierre Mignon and Stefan Loverix and D. Tourwe and Paul Geerlings",
	Title = "{Influence of Stacking on the Hydrogen Bond Donating Potential of Nucleic Bases}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "2",
	Pages = "1444–1452",
	collection = "nucleic acid bases",
	doi = "10.1021/ct600150n",
	year = 2006
}

@Article{2006-Warshel-SKXLO,
	Author = "Arieh Warshel and Pankaz K. Sharma and Mitsunori Kato and Yun Xiang and Hanbin Liu and Mats H. M. Olsson",
	Title = "{Electrostatic basis for enzyme catalysis}",
	Journal = "Chem. Rev.",
	Volume = "106",
	Pages = "3210–3235",
	collection = "enzymes",
	doi = "10.1021/cr0503106",
	year = 2006
}

@Article{2006-Wei-JYFL,
	Author = "Chunying Wei and Guoqing Jia and Jingli Yuan and Zhaochi Feng and Can Li",
	Title = "{A Spectroscopic Study on the Interactions of Porphyrin with {G-Quadruplex} {DNAs†}}",
	Journal = "Biochemistry",
	Volume = "45",
	Number = "21",
	Pages = "6681–6691",
	collection = "nucleic acid drugs",
	doi = "10.1021/bi052356z",
	year = 2006
}

@Article{2006-Wu,
	Author = "Jianzhong Wu",
	Title = "{Density functional theory for chemical engineering: from capillarity to soft materials}",
	Journal = "AIChE Journal",
	Volume = "52",
	Number = "3",
	Pages = "1169–1193",
	collection = "statistical mechanics",
	doi = "10.1002/aic.10713",
	type = "Review",
	year = 2006
}

@Article{2006-Xu-NS,
	Author = "Yan Xu and Yuki Noguchi and Hiroshi Sugiyama",
	Title = "{The new models of the human telomere {d[AGGG(TTAGGG)3]} in K+ solution}",
	Journal = "Bioorg. Med. Chem.",
	Volume = "14",
	Number = "16",
	Pages = "5584–5591",
	collection = "nucleic acids",
	doi = "10.1016/j.bmc.2006.04.033",
	year = 2006
}

@Article{2006-Yoon-Sneddon,
	Author = "Chang Won Yoon and Larry G. Sneddon",
	Title = "{Ammonia Triborane: A Promising New Candidate for {Amineborane-Based} Chemical Hydrogen Storage}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "128",
	Number = "43",
	Pages = "13992–13993",
	collection = "hydrogen sorption",
	doi = "10.1021/ja064526g",
	shorttitle = "Ammonia Triborane",
	year = 2006
}

@Article{2007-Agapito-CS,
	Author = "Filipo Agapito and Benedito J. Costa Cabral and José A. Martinho Simoes",
	Title = "{A cost-efective basis-set extrapolation scheme: application to the energetics of homolytic bond dissociation}",
	Journal = "J. Mol. Struct.",
	Volume = "811",
	Pages = "361–372",
	collection = "basis set dependence",
	doi = "10.1016/j.theochem.2006.12.050",
	keywords = "basis set extrapolation",
	year = 2007
}

@Article{2007-Al-Shahib-BG,
	Author = "Ali Al-Shahib and Rainer Breitling and David R. Gilbert",
	Title = "{Predicting protein function by machine learning on amino acid sequences - a critical evaluation}",
	Journal = "BMC Genomics",
	Volume = "8",
	Pages = "78",
	collection = "proteins",
	doi = "10.1186/1471-2164-8-78",
	keywords = "enzyme function prediction; machine learning",
	rating = "2",
	read = "2013-09-09",
	year = 2007
}

@Article{2007-Alexander-Katz-Fredrickson,
	Author = "Alfredo Alexander-Katz and Glenn H. Fredrickson",
	Title = "{Diblock copolymer thin films: a field-theoretic simulation study}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "4075–4087",
	collection = "block copolymers",
	doi = "10.1021/ma070005h",
	keywords = "block copolymers; thin films",
	methods = "FTS",
	year = 2007
}

@Article{2007-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Everyman's Derivation of the Theory of Atoms in Molecules}",
	Journal = "J. Phys. Chem. A",
	Volume = "111",
	Number = "32",
	Pages = "7966–7972",
	collection = "quantum chemistry",
	doi = "10.1021/jp073213k",
	year = 2007
}

@Article{2007-Bader-HC,
	Author = "Richard F. W. Bader and Jesús Hernández-Trujillo and Fernando {Cortés-Guzmán}",
	Title = "{Chemical bonding: From Lewis to atoms in molecules}",
	Journal = "J. Comp. Chem.",
	Volume = "28",
	Number = "1",
	Pages = "4–14",
	collection = "quantum chemistry",
	doi = "10.1002/jcc.20528",
	shorttitle = "Chemical bonding",
	year = 2007
}

@Article{2007-Bakowies,
	Author = "Dirk Bakowies",
	Title = "{Accurate extrapolation of electron correlation energies from small basis sets}",
	Journal = "J. Chem. Phys.",
	Volume = "127",
	Number = "16",
	Pages = "164109–12",
	collection = "basis set dependence",
	doi = "10.1063/1.2768359",
	year = 2007
}

@Article{2007-Bakowies-1,
	Author = "Dirk Bakowies",
	Title = "{Extrapolation of electron correlation energies to finite and complete basis set targets}",
	Journal = "J. Chem. Phys.",
	Volume = "127",
	Number = "8",
	Pages = "084105–23",
	collection = "basis set dependence",
	doi = "10.1063/1.2749516",
	year = 2007
}

@Article{2007-Barrientos-Sordo,
	Author = "C. Barrientos and Jóse A. Sordo",
	Title = "{On the application of the counterpoise correction for the basis set superposition error in geometry optimization calculations of molecular systems: some inconsistent results}",
	Journal = "Theor. Chem. Acc.",
	Volume = "118",
	Pages = "733–738",
	collection = "basis set superposition",
	doi = "10.1007/s00214-007-0345-z",
	keywords = "basis set superposition error; counterpoise correction",
	year = 2007
}

@Article{2007-Bartlett-Musial,
	Author = "Rodney J. Bartlett and Monika Musiał",
	Title = "{Coupled-cluster theory in quantum chemistry}",
	Journal = "Rev. Mod. Phys.",
	Volume = "79",
	Number = "1",
	Pages = "291–352",
	collection = "quantum chemistry",
	doi = "10.1103/RevModPhys.79.291",
	numpages = "61",
	year = 2007
}

@Article{2007-Baruss,
	Author = "Imants Baruss",
	Title = "{Franklin Wolff's mathematical resolution of existential issues}",
	Journal = "Journal of Scientific Exploration",
	Volume = "21",
	Number = "4",
	Pages = "751–756",
	collection = "philosophy",
	year = 2007
}

@Article{2007-Borini-MRTABCEEMSS,
	Author = "S. Borini and A. Monari and E. Rossi and A. Tajti and C. Angeli and G.L. Bendazzoli and R. Cimiraglia and A. Emerson and S. Evangelisti and D. Maynau and J. Sanchez-Marin and P.G. Szalay",
	Title = "{FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library}",
	Journal = "J. Chem. Inf. Model.",
	Volume = "47",
	Pages = "1271–1277",
	collection = "cheminformatics",
	doi = "10.1021/ci7000567",
	year = 2007
}

@Article{2007-Bukowski-SGA,
	Author = "Robert Bukowski and Krzysztof Szalewicz and Gerrit C. Groenenboom and Ad van der Avoird",
	Title = "{Predictions of the properties of water from first principles}",
	Journal = "Science",
	Volume = "315",
	Pages = "1249–1252",
	collection = "molecular interactions",
	keywords = "water; force fields; liquid state",
	systems = "water dimer",
	year = 2007
}

@Article{2007-Cao-Wu,
	Author = "Dapeng Cao and Jianzhong Wu",
	Title = "{Density functional theory for a primitive model of nanoparticle-block copolymer mixtures}",
	Journal = "J. Chem. Phys.",
	Volume = "126",
	Number = "14",
	Pages = "144912",
	Note = "Description of density profiles of relatively short diblock BCPs containing relatively small NPs in a thin film.",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.2712442",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "DFT",
	year = 2007
}

@Article{2007-Chiba-FK,
	Author = "Mahito Chiba and Dmitri G. Fedorov and Kazuo Kitaura",
	Title = "{Time-dependent density functional theory with the multilayer fragment molecular orbital method}",
	Journal = "Chem. Phys. Lett.",
	Volume = "444",
	Number = "4-6",
	Pages = "346 – 350",
	collection = "molecular fragmentation",
	methods = "FMO, TDDFT",
	year = 2007
}

@Article{2007-Chiba-FK-1,
	Author = "Mahito Chiba and Dmitri G. Fedorov and Kazuo Kitaura",
	Title = "{Time-dependent density functional theory based upon the fragment molecular orbital method}",
	Journal = "J. Chem. Phys.",
	Volume = "127",
	Number = "10",
	Pages = "104108–11",
	collection = "molecular fragmentation",
	doi = "10.1063/1.2772850",
	methods = "FMO, TDDFT",
	year = 2007
}

@Article{2007-Chiu-KBKP,
	Author = "Julia J. Chiu and Bumjoon J. Kim and Gi-Ra Yi and Joona Bang and Edward J. Kramer and David J. Pine",
	Title = "{Distribution of nanoparticles in lamellar domains of block copolymers}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "3361–3365",
	Note = "Studies distribution of PS-coated particles inside PS-b-P2VP lammellae.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma061503d",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "TEM",
	systems = "Au-PS@PS-P2VP",
	year = 2007
}

@Article{2007-Choi-SSL,
	Author = "H. D. Choi and P. J. Seo and B. W. Son and U. Lee",
	Title = "{5-iodo-3-methylsulfinyl-2-phenyl-1-benzofuran}",
	Journal = "Acta Cryst. E",
	Volume = "63",
	Pages = "O3745 – U2447",
	collection = "halogen bonding",
	doi = "10.1107/S1600536807038822",
	size = "10 p.",
	year = 2007
}

@Article{2007-Clark-HMP,
	Author = "Timothy Clark and M. Hennemann and Jane S. Murray and Peter Politzer",
	Title = "{Halogen bonding: the sigma-hole}",
	Journal = "J. Mol. Model.",
	Volume = "13",
	Number = "2",
	Pages = "291 – 296",
	collection = "halogen bonding",
	year = 2007
}

@Article{2007-Cockroft-PZASLVLUH,
	Author = "Scott L. Cockroft and Julie Perkins and Cristiano Zonta and Harry Adams and Sharon E. Spey and Caroline M. R. Low and Jeremy G. Vinter and Kevin R. Lawson and Christopher J. Urch and Christopher A. Hunter",
	Title = "{Substituent effects on aromatic stacking interactions}",
	Journal = "Org. Biomol. Chem.",
	Volume = "5",
	Number = "7",
	Pages = "1062",
	collection = "stacking",
	doi = "10.1039/b617576g",
	year = 2007
}

@Article{2007-Costanzo-Beyer,
	Author = "Philip J. Costanzo and Frederick L. Beyer",
	Title = "{Thermally driven assembly of nanoparticles in polymer matrices}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "3996–4001",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma070447t",
	keywords = "block copolymers; nanomigration; nanoparticle distribution; nanoparticle grafts; nanospheres; polymer nanocomposites",
	methods = "TEM, SAXS",
	systems = "Au-PS-PEG@PS-PMMA",
	year = 2007
}

@Article{2007-Cybulski-Lytle,
	Author = "Sławomir M. Cybulski and Marion L. Lytle",
	Title = "{The origin of deficiency of the supermolecule second-order Møller-Plesset approach for evaluating interaction energies}",
	Journal = "J. Chem. Phys.",
	Volume = "127",
	Pages = "141102",
	collection = "molecular interactions",
	doi = "10.1063/1.2795693",
	year = 2007
}

@Article{2007-Dai-PACJY,
	Author = "Jixun Dai and Chandanamali Punchihewa and Attila Ambrus and Ding Chen and Roger A. Jones and Danzhou Yang",
	Title = "{Structure of the intramolecular human telomeric G-quadruplex in potassium solution: a novel adenine triple formation}",
	Journal = "Nucl. Acids Res.",
	Volume = "35",
	Number = "7",
	Pages = "2440–2450",
	collection = "nucleic acids",
	doi = "10.1093/nar",
	shorttitle = "Structure of the intramolecular human telomeric G-quadruplex in potassium solution",
	year = 2007
}

@Article{2007-Darling,
	Author = "S. B. Darling",
	Title = "{Directing the self-assembly of block copolymers}",
	Journal = "Prog. Polym. Sci.",
	Volume = "32",
	Pages = "1152–1204",
	collection = "block copolymers",
	doi = "10.1016/j.progpolymsci.2007.05.004",
	keywords = "block copolymers",
	type = "Review",
	year = 2007
}

@Article{2007-Deshmukh-BCC,
	Author = "Ranjan D. Deshmukh and Gavin A. Buxton and Nigel Clarke and Russell J. Composto",
	Title = "{Nanoscale block copolymer templates decorated by nanoparticle arrays}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "6316–6324",
	Note = "Shows SFM/TEM images and CDS results for a perpendicular->parallel transition in NP-loaded BCP lammellae at a surface.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma0707943",
	keywords = "block copolymers; nanogrowth; nanoparticle aggregation; nanospheres; polymer nanocomposites; thin films",
	methods = "AFM, TEM, CDS/BD",
	systems = "Ag@PS-PMMA",
	year = 2007
}

@Article{2007-Deshmukh-Composto,
	Author = "Ranjan D. Deshmukh and Russell J. Composto",
	Title = "{Direct observation of nanoparticle embedding into the surface of a polymer melt}",
	Journal = "Langmuir",
	Volume = "23",
	Pages = "13169–13173",
	collection = "polymer nanocomposites",
	doi = "10.1021/la7025544",
	keywords = "nanomigration; nanoparticle distribution; polymer blends; polymer nanocomposites",
	year = 2007
}

@Article{2007-Deshmukh-LC,
	Author = "Ranjan D. Deshmukh and Yu Liu and Russell J. Composto",
	Title = "{Two-dimensional confinement of nanorods in block copolymer domains}",
	Journal = "Nano Lett.",
	Volume = "7",
	Number = "12",
	Pages = "3662–3668",
	Note = "Demonstrates orienting PEG-coated nanorods in a PS-b-PMMA diblock lammellar film.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nl071908r",
	keywords = "alignment; block copolymers; nanorods; polymer nanocomposites; thin films",
	methods = "backscattering, absorbance, TEM",
	systems = "Au(rods)-PS@PS-PMMA",
	year = 2007
}

@Article{2007-Donchev,
	Author = "A. G. Donchev",
	Title = "{Ab initio study of the effects of orientation and corrugation for H[sub 2] adsorbed on polycyclic aromatic hydrocarbons}",
	Journal = "J. Chem. Phys.",
	Volume = "126",
	Number = "12",
	Pages = "124706",
	collection = "hydrogen sorption",
	doi = "10.1063/1.2717174",
	year = 2007
}

@Article{2007-Dyguda-Kazimierowicz-SL,
	Author = "Edyta Dyguda-Kazimierowicz and W. Andrzej Sokalski and Jerzy Leszczyński",
	Title = "{Non-empirical study of the phosphorylzation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactions}",
	Journal = "J. Mol. Model.",
	Volume = "13",
	Pages = "839–849",
	collection = "molecular reactions",
	doi = "10.1007/s00894-007-0192-9",
	year = 2007
}

@Article{2007-Fedorov-IIKPN,
	Author = "Dmitri G. Fedorov and Kazuya Ishimura and T. Ishida and Kazuo Kitaura and Peter Pulay and S. Nagase",
	Title = "{Accuracy of the three-body fragment molecular orbital method applied to {M}oller-{P}lesset perturbation theory}",
	Journal = "J. Comp. Chem.",
	Volume = "28",
	Number = "9",
	Pages = "1476 – 1484",
	collection = "molecular fragmentation",
	doi = "10.1002/jcc.20645",
	keywords = "electronic structure",
	methods = "MP2, FMO",
	systems = "water clusters, alanine oligomers, synthetic protein",
	year = 2007
}

@Article{2007-Fedorov-IUK,
	Author = "Dmitri G. Fedorov and T. Ishida and Masami Uebayasi and Kazuo Kitaura",
	Title = "{The fragment molecular orbital method for geometry optimizations of polypeptides and proteins}",
	Journal = "J. Phys. Chem. A",
	Volume = "111",
	Number = "14",
	Pages = "2722 – 2732",
	collection = "protein structure",
	doi = "10.1021/jp0671042",
	methods = "FMO",
	year = 2007
}

@Article{2007-Fedorov-Kitaura,
	Author = "Dmitri G. Fedorov and Kazuo Kitaura",
	Title = "{Extending the power of quantum chemistry to large systems with the fragment molecular orbital method}",
	Journal = "J. Phys. Chem. A",
	Volume = "111",
	Number = "30",
	Pages = "6904 – 6914",
	collection = "molecular fragmentation",
	doi = "10.1021/jp0716740",
	methods = "FMO",
	year = 2007
}

@Article{2007-Fedorov-Kitaura-1,
	Author = "Dmitri G. Fedorov and Kazuo Kitaura",
	Title = "{Pair interaction energy decomposition analysis}",
	Journal = "J. Comp. Chem.",
	Volume = "28",
	Number = "1",
	Pages = "222–237",
	collection = "molecular interactions",
	doi = "10.1002/jcc.20496",
	methods = "PIEDA",
	year = 2007
}

@Article{2007-Ferguson-Denny,
	Author = "Lynnette R. Ferguson and William A. Denny",
	Title = "{Genotoxicity of non-covalent interactions: {DNA} intercalators}",
	Journal = "Mutation Research",
	Volume = "623",
	Pages = "14–23",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.mrfmmm.2007.03.014",
	year = 2007
}

@Article{2007-Fredrickson,
	Author = "Glenn H. Fredrickson",
	Title = "{Computational field theory of polymers: opportunities and challenges}",
	Journal = "Soft Matter",
	Volume = "3",
	Pages = "1329–1334",
	collection = "polymers",
	doi = "10.1039/b710604a",
	keywords = "polymers",
	year = 2007
}

@Article{2007-Ginzburg-Balijepali,
	Author = "Valeriy V. Ginzburg and Sudhakar Balijepali",
	Title = "{Modeling the thermodynamics of the interaction of nanoparticles with cell membranes}",
	Journal = "Nano Lett.",
	Volume = "7",
	Number = "12",
	Pages = "3716–3722",
	collection = "nanoparticles",
	doi = "10.1021/nl072053l",
	keywords = "biological nanocomposites; nanospheres; cell membranes; receptors; thin films",
	year = 2007
}

@Article{2007-Grzywa-DSFSO,
	Author = "Renata Grzywa and Edyta Dyguda-Kazimierowicz and Marcin Sieńczyk and Mikołaj Feliks and W. Andrzej Sokalski and Józef Oleksyszyn",
	Title = "{The molecular basis of urokinase inhibition: from the nonempirical analysis of intermolecular interactions to the prediction of binding affinity}",
	Journal = "J. Mol. Model.",
	Volume = "{13}",
	Number = "{6-7}",
	Pages = "{677–683}",
	collection = "enzymes",
	doi = "10.1007/s00894-007-0193-8",
	year = 2007
}

@Article{2007-Gunkel-STT,
	Author = "I. Gunkel and S. Stepanow and T. Thurn-Albrecht and S. Trimper",
	Title = "{Fluctuation effects in the theory of microphase separation of diblock copolymers in the presence of an electric field}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "2186–2191",
	collection = "block copolymers",
	doi = "10.1021/ma0623993",
	keywords = "block copolymers; electric fields",
	year = 2007
}

@Article{2007-Hall-LFB,
	Author = "David M. Hall and Turab Lookman and Glenn H. Fredrickson and Sanjoy Banerjee",
	Title = "{Numerical method for hydrodynamic transport of inhomogeneous polymer melts}",
	Journal = "J. Comp. Phys.",
	Volume = "224",
	Pages = "681–698",
	archiveprefix = "arXiv",
	collection = "block copolymers",
	doi = "10.1016/j.jcp.2006.10.027",
	eprint = "cond-mat/0603774v2",
	keywords = "block copolymers; hydrodynamics",
	methods = "HSCFT",
	primaryclass = "cond-mat.soft",
	rating = "3",
	read = "2011-11-26",
	year = 2007
}

@Article{2007-Hartung-GB,
	Author = "J. Hartung and A. Gross and U. Bergstrasser",
	Title = "{5-(4-chlorophenyl)-3-hydroxy-4-methylthiazole-2(3{H})-thione:
an instance of bifurcated hydrogen bonding}",
	Journal = "Acta Cryst. E",
	Volume = "63",
	Pages = "O2743 – O2745",
	collection = "halogen bonding",
	doi = "10.1107/S1600536807018016",
	year = 2007
}

@Article{2007-He-TERBLW,
	Author = "Jinbo He and Ravisubhash Tangirala and Todd Emrick and Thomas P. Russell and Alexander Böker and Xuefa Li",
	Title = "{Self-assembly of nanoparticle-copolymer mixtures: a kinetic point of view}",
	Journal = "Adv. Mater.",
	Volume = "19",
	Pages = "381–385",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/adma.200602094",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SAXS, SEM, SFM",
	rating = "2",
	read = "2012-03-21",
	systems = "CdSe-TOPO@PS-P2VP",
	year = 2007
}

@Article{2007-Hendry-MBE,
	Author = "Lawrence B. Hendry and Virendra B. Mahesh and Edwin D. Bransome Jr. and Douglas E. Ewing",
	Title = "{Small molecule intercalation with double stranded DNA: implications for normal gene regulation and for predicting the biological efficacy and genotoxicity of drugs and other chemicals}",
	Journal = "Mutation Research",
	Volume = "623",
	Pages = "53–71",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.mrfmmm.2007.03.009",
	year = 2007
}

@Article{2007-Hernandez-Trujillo-CFB,
	Author = "Jesús Hernández-Trujillo and Fernando {Cortés-Guzmán} and {De-Chai} Fang and Richard F. W. Bader",
	Title = "{Forces in molecules}",
	Journal = "Faraday Discuss.",
	Volume = "135",
	Pages = "79–95",
	collection = "molecular structure",
	doi = "10.1039/b604996f",
	year = 2007
}

@Article{2007-Hooper-Schweizer,
	Author = "Justin B. Hooper and Kenneth S. Schweizer",
	Title = "{Real space structure and scattering patterns of model polymer nanocomposites}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "6998–7008",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma071147e",
	keywords = "polymer nanocomposites",
	year = 2007
}

@Article{2007-Hopkins-ET,
	Author = "Brian W. Hopkins and Adel M. {ElSohly} and Gregory S. Tschumper",
	Title = "{Reliable structures and energetics for two new delocalized pi-pi prototypes: cyanogen dimer and diacetylene dimer}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "9",
	Number = "13",
	Pages = "1550",
	collection = "stacking",
	doi = "10.1039/b616878g",
	shorttitle = "Reliable structures and energetics for two new delocalized ?",
	year = 2007
}

@Article{2007-Houlding-LP,
	Author = "S. Houlding and S. Y. Liem and Paul L. A. Popelier",
	Title = "{A polarizable high-rank quantum topological electrostatic potential developed using neural networks: Molecular dynamics simulations on the hydrogen fluoride dimer}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "107",
	Number = "14",
	Pages = "2817–2827",
	collection = "molecular electrostatics",
	doi = "10.1002/qua.21507",
	shorttitle = "A polarizable high-rank quantum topological electrostatic potential developed using neural networks",
	year = 2007
}

@Article{2007-Huang-WJL,
	Author = "Ching-Mao Huang and Kung-Hwa Wei and U-Ser Jeng and Keng S. Liang",
	Title = "{Structural evolution of poly(styrene-b-4-vinylpyridine) diblock copolymer-gold nanoparticle mixtures from solution to solid state}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "5067–5074",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma0704764",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "TEM, SAXS, TGA, XPS",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-phenylethanethiol@PS-P4VP",
	year = 2007
}

@Article{2007-Hubner-Klopper,
	Author = "Olaf Hubner and Wim Klopper",
	Title = "{Interaction of Dihydrogen with Small and Light Molecules}",
	Journal = "J. Phys. Chem. A",
	Volume = "111",
	Number = "12",
	Pages = "2426–2433",
	collection = "hydrogen sorption",
	doi = "10.1021/jp0677647",
	systems = "digydrogen near small molecules",
	year = 2007
}

@Article{2007-Itahara-Imaizumi,
	Author = "Toshio Itahara and Kozo Imaizumi",
	Title = "{Role of Nitrogen Atom in Aromatic Stacking}",
	Journal = "J. Phys. Chem. B",
	Volume = "111",
	Number = "8",
	Pages = "2025–2032",
	collection = "stacking",
	doi = "10.1021/jp0664521",
	year = 2007
}

@Article{2007-Ito-FMNT,
	Author = "Mika Ito and Kaori Fukuzawa and Yuji Mochizuki and Tatsuya Nakano and Shigenori Tanaka",
	Title = "{Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid {X} receptor and its coactivator: {R}oles of helix 12 in the coactivator binding mechanism}",
	Journal = "J. Phys. Chem. B",
	Volume = "111",
	Number = "13",
	Pages = "3525 – 3533",
	collection = "proteins",
	doi = "10.1021/jp070054w",
	year = 2007
}

@Article{2007-Jacobson-MA,
	Author = "Ken Jacobson and Ole G. Mouritsen and Richard G. W. Anderson",
	Title = "{Lipid rafts: at a crossroad between cell biology and physics}",
	Journal = "Nature Cell Biol.",
	Volume = "9",
	Number = "1",
	Pages = "7–14",
	collection = "cells",
	doi = "10.1038/ncb0107-7",
	keywords = "cell membranes",
	shorttitle = "Lipid rafts",
	year = 2007
}

@Article{2007-Jadzinsky-CABK,
	Author = "Pablo D. Jadzinsky and Guillermo Calero and Christopher J. Ackerson and David A. Bushnell and Roger D. Kornberg",
	Title = "{Structure of a thiol monolayer-protected gold nanoparticle at 1.1A resolution}",
	Journal = "Science",
	Volume = "318",
	Pages = "430–433",
	collection = "nanoparticles",
	doi = "10.1126/science.1148624",
	keywords = "nanoparticle structure; nanospheres",
	rating = "2",
	year = 2007
}

@Article{2007-Janovec-SKPKUMBPI,
	Author = "Ladislav Janovec and Danica Sabolová and Mária Kožurková and Helena Paulíková and Pavol Kristian and Ján Ungvarský and Erika Moravčiková and Mária Bajdichová and Dusan Podhradský and Ján Imrich",
	Title = "{Synthesis, {DNA} Interaction, and Cytotoxic Activity of a Novel {Proflavine−Dithiazolidinone} Pharmacophore}",
	Journal = "Bioconjugate Chem.",
	Volume = "18",
	Number = "1",
	Pages = "93–100",
	collection = "nucleic acid intercalation",
	doi = "10.1021/bc060168v",
	year = 2007
}

@Article{2007-Janowski-FP,
	Author = "Tomasz Janowski and Alan R. Ford and Peter Pulay",
	Title = "{Parallel calculation of coupled cluster singles and doubles wave functions using array files}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "3",
	Pages = "1368–1377",
	collection = "cheminformatics",
	doi = "10.1021/ct700048u",
	year = 2007
}

@Article{2007-Janowski-Pulay,
	Author = "Tomasz Janowski and Peter Pulay",
	Title = "{High accuracy benchmark calculations on the benzene dimer potential energy surface}",
	Journal = "Chem. Phys. Lett.",
	Volume = "447",
	Number = "1-3",
	Pages = "27–32",
	collection = "stacking",
	doi = "10.1016/j.cplett.2007.09.003",
	year = 2007
}

@Article{2007-Jurecka-CHS,
	Author = "Petr Jurečka and Jiří Černý and Pavel Hobza and Dennis R. Salahub",
	Title = "{Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations}",
	Journal = "J. Comp. Chem.",
	Volume = "28",
	Pages = "555–569",
	collection = "molecular interactions",
	doi = "10.1002/jcc.20570",
	methods = "CCSD(T), MP2",
	systems = "S22",
	year = 2007
}

@Article{2007-Khaliullin-CLBH,
	Author = "Rustam Z. Khaliullin and Erika A. Cobar and Rohini C. Lochan and Alexis T. Bell and Martin Head-Gordon",
	Title = "{Unravelling the Origin of Intermolecular Interactions Using Absolutely Localized Molecular Orbitals}",
	Journal = "J. Phys. Chem. A",
	Volume = "111",
	Number = "36",
	Pages = "8753–8765",
	collection = "molecular interactions",
	doi = "10.1021/jp073685z",
	year = 2007
}

@Article{2007-Kim-BHCPJYK,
	Author = "Bumjoon J. Kim and Joona Bang and Craig J. Hawker and Julia J. Chiu and David J. Pine and Se Gyu Jang and Seung-Man Yang and Edward J. Kramer",
	Title = "{Creating surfactant nanoparticles for block copolymer composites through surface chemistry}",
	Journal = "Langmuir",
	Volume = "23",
	Pages = "12693–12703",
	Note = "This article is a reference point for 2009-Kim-Matsen and other computations of functionalized nanoparticles. The PS-SH ligand used had a MW of 1.5 or 3.4 kg/mol, which correspond to 15 and 33 styrene monomers. The P2VP-SH lignds of 1.5 and 3 kg/mol correspond to 15 and 29 monomers. The 196 kg/mol BCP contains around 1900 monomers per chain.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/la701906n",
	keywords = "block copolymers; nanoparticle distribution; nanoparticle grafts; nanospheres; optical properties; polymer nanocomposites",
	methods = "TEM",
	systems = "Au-PS@PS-P2VP, Au-P2VP@PS-P2VP",
	year = 2007
}

@Article{2007-Kim-FHK,
	Author = "Bumjoon J. Kim and Glenn H. Fredrickson and Craig J. Hawker and Edward J. Kramer",
	Title = "{Nanoparticle surfactants as a route to bicontinuous block copolymer morphologies}",
	Journal = "Langmuir",
	Volume = "23",
	Pages = "7804–7809",
	Note = "This article preceeds 2007-Kim-BHCPJYK, which is important for 2009-Kim-Matsen and other theoretical reports. The main finding is a critical areal chain density, below which NPs go to the interface to form a bicontinuous morphology.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/la700507j",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites",
	methods = "TEM",
	systems = "Au-PS(2.38 chains/nm2)@PS-b-P2VP(196 kg/mol)",
	year = 2007
}

@Article{2007-Krishnamoorti-Vaia,
	Author = "Ramanan Krishnamoorti and Richard A. Vaia",
	Title = "{Polymer nanocomposites}",
	Journal = "J. Polym. Sci. Pt. B-Polym. Phys.",
	Volume = "45",
	Number = "24",
	Pages = "3252–3256",
	collection = "polymer nanocomposites",
	doi = "10.1002/polb.21319",
	keywords = "polymer nanocomposites",
	type = "Viewpoint",
	year = 2007
}

@Article{2007-Kurisaki-FKMNICRWT,
	Author = "I. Kurisaki and Kaori Fukuzawa and Y. Komeiji and Yuji Mochizuki and Tatsuya Nakano and J. Imada and A. Chmielewski and S. M. Rothstein and Hirofumi Watanabe and Shigenori Tanaka",
	Title = "{Visualization analysis of inter-fragment interaction energies of {CRP}-c{AMP}-{DNA} complex based on the fragment molecular orbital method}",
	Journal = "Biophys. Chem.",
	Volume = "130",
	Number = "1-2",
	Pages = "1 – 9",
	collection = "proteins",
	methods = "FMO",
	year = 2007
}

@Article{2007-Labar-Michaux,
	Author = "Geoffray Labar and Catherine Michaux",
	Title = "{Fatty acid amide hydrolase: from characterization to therapeutics}",
	Journal = "Chem. Biodivers.",
	Number = "4",
	Pages = "1882–1902",
	collection = "enzymes",
	year = 2007
}

@Article{2007-Laicer-MT,
	Author = "Castro S. T. Laicer and Randy A. Mrozek and T. Andrew Taton",
	Title = "{Domain nucleation dictates overall nanostructure in composites of block copolymers and model nanorods}",
	Journal = "Polymer",
	Volume = "48",
	Pages = "1316–1328",
	Note = "Demonstrates BCP domain alignment using long nanoparticle seeds; the accompanying DDFT simulations seem problematic.",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.polymer.2006.12.056",
	keywords = "block copolymers; nanorods; mesophase nucleation; polymer nanocomposites",
	methods = "SAXS, AFM, TEM, SEM, DDFT",
	systems = "Au(rods)@PS-PI",
	year = 2007
}

@Article{2007-Lan-FB,
	Author = "Qiang Lan and Lorraine F. Francis and Frank S. Bates",
	Title = "{Silica nanoparticle dispersions in homopolymer versus block copolymer}",
	Journal = "J. Polym. Sci. Pt. B-Polym. Phys.",
	Volume = "45",
	Pages = "2284–2299",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/polb.21251",
	keywords = "block copolymers; nanoparticle aggregation; nanoparticle distribution; nanoparticle grafts; nanospheres; polymer nanocomposites",
	methods = "TGA, GPC, DLS, SAXS, TEM",
	systems = "silica-PS@PS-PB",
	year = 2007
}

@Article{2007-Larkin-BBCMMVWWLTGH,
	Author = "M. A. Larkin and G. Blackshields and N. P. Brown and R. Chenna and P. A. McGettigan and H. McWilliam and F. Valentin and I. M. Wallace and A. Wilm and R. Lopez and J. D. Thompson and T. J. Gibson and D. G. Higgins",
	Title = "{Clustal W and Clustal X version 2.0}",
	Journal = "Bioinformatics",
	Volume = "23",
	Number = "21",
	Pages = "2947–2948",
	collection = "cheminformatics",
	doi = "10.1093/bioinformatics",
	keywords = "software",
	year = 2007
}

@Article{2007-Lee-LSRWT,
	Author = "Byeongdu Lee and Chieh-Tsung Lo and Soenke Seifert and Nancy L. Dietz Rago and Randall E. Winans and Pappanan Thiyagarajan",
	Title = "{Anomalous small-angle X-ray scattering characterization of bulk block copolymer-nanoparticle composites}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "4235–4243",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma062916h",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SAXS, TEM",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-PS@PS-P2VP",
	year = 2007
}

@Article{2007-Lee-RO,
	Author = "David Lee and Oliver Redfern and Christine Orengo",
	Title = "{Predicting protein function from sequence and structure}",
	Journal = "Nat. Rev. Mol. Cell Biol.",
	Volume = "8",
	Pages = "995–1005",
	collection = "proteins",
	doi = "10.1038/nrm2281",
	keywords = "protein function; homology",
	ratings = "2",
	read = "2012-08-02",
	year = 2007
}

@Article{2007-Lo-LPRSWT,
	Author = "Chieh-Tsung Lo and Byeongdu Lee and Vilas G. Pol and Nancy L. Dietz Rago and Soenke Seifert and Randall E. Winans and Pappanan Thiyagarajan",
	Title = "{Effect of molecular properties of block copolymers and nanoparticles on the morphology of self-assembled bulk nanocomposites}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "8302–8310",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma070835v",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SAXS, TEM",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-PS@PS-P2VP",
	year = 2007
}

@Article{2007-Lo-LRWT,
	Author = "Chieh-Tsung Lo and Byeongdu Lee and Nancy L. Dietz Rago and Randall E. Winans and Pappanan Thiyagarajan",
	Title = "{Strategy for better ordering in diblock copolymer based nanocomposites}",
	Journal = "Macromol. Rapid Commun.",
	Volume = "28",
	Pages = "1607–1612",
	Note = "The idea presented here is simple and general, and could be used for other systems.",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/marc.200700412",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SAXS, TEM",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-PS@PS-P2VP",
	year = 2007
}

@Article{2007-Lo-LWT,
	Author = "Chieh-Tsung Lo and Byeongdu Lee and Randall E. Winans and Pappanan Thiyagarajan",
	Title = "{Phase behavior of nanoparticle-diblock copolymer complex in a selective solvent}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "641–647",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma061950t",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SANS",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-PS@PS-P2VP",
	year = 2007
}

@Article{2007-Lodola-MZTPHM,
	Author = "Alessio Lodola and Marco Mor and Jolanta Żurek and Giorgio Tarzia and Daniele Piomelli and Jeremy N. Harvey and Adrian J. Mulholland",
	Title = "{Conformational Effects in Enzyme Catalysis: Reaction via a High Energy Conformation in Fatty Acid Amide Hydrolase}",
	Journal = "Biophys. J.",
	Volume = "92",
	Number = "2",
	Pages = "L20–L22",
	collection = "enzymes",
	doi = "10.1529/biophysj.106.098434",
	keywords = "hydrolysis",
	methods = "MD, QM/MM",
	shorttitle = "Conformational Effects in Enzyme Catalysis",
	systems = "fatty acid amide hydrolase",
	year = 2007
}

@Article{2007-McGarrity-FFM,
	Author = "Erin S. McGarrity and Amalie L. Frischknecht and L. J. D. Frink and Michael E. Mackay",
	Title = "{Surface-induced first-order transition in athermal polymer-nanoparticle blends}",
	Journal = "Phys. Rev. Lett.",
	Volume = "99",
	Pages = "238302",
	collection = "polymer nanocomposites",
	doi = "10.1103/PhysRevLett.99.238302",
	keywords = "polymer nanocomposites",
	year = 2007
}

@Article{2007-Murray-LCP,
	Author = "Jane S. Murray and Pat Lane and Timothy Clark and Peter Politzer",
	Title = "{Sigma-hole bonding: molecules containing group {VI} atoms}",
	Journal = "J. Mol. Model.",
	Volume = "13",
	Number = "10",
	Pages = "1033 – 1038",
	collection = "halogen bonding",
	doi = "10.1007/s00894-007-0225-4",
	size = "6 p.",
	year = 2007
}

@Article{2007-Murray-LP,
	Author = "Jane S. Murray and Pat Lane and Peter Politzer",
	Title = "{A predicted new type of directional noncovalent interaction}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "107",
	Number = "12",
	Pages = "2286 – 2292",
	collection = "halogen bonding",
	doi = "10.1002/qua.21352",
	year = 2007
}

@Article{2007-Mutch-vDE,
	Author = "Kevin J. Mutch and Jeroen S. {van Duijneveldt} and Julian Eastoe",
	Title = "{Colloid–polymer mixtures in the protein limit}",
	Journal = "Soft Matter",
	Volume = "3",
	Pages = "155–167",
	collection = "polymers",
	doi = "10.1039/b611137h",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2007
}

@Article{2007-Nakayama-FKSSKASSMI,
	Author = "T. Nakayama and H. Fukuda and T. Kamikawa and Y. Sakamoto and A. Sugita and M. Kawasaki and T. Amano and H. Sato and S. Sakaki and I. Morino and G. Inoue",
	Title = "{Effective interaction energy of water dimer at room temperature: {A}n experimental and theoretical study}",
	Journal = "J. Chem. Phys.",
	Volume = "127",
	Number = "13",
	collection = "hydrogen bonding",
	doi = "10.1063/1.2773726",
	keywords = "hydrogen bonding; water",
	systems = "water dimer",
	year = 2007
}

@Article{2007-Negri-Saendig,
	Author = "Fabrizia Negri and Nadja Saendig",
	Title = "{Tuning the physisorption of molecular hydrogen: binding to aromatic, hetero-aromatic and metal-organic framework materials}",
	Journal = "Theor. Chem. Acc.",
	Volume = "118",
	Number = "1",
	Pages = "149–163",
	collection = "hydrogen sorption",
	doi = "10.1007/s00214-007-0254-1",
	shorttitle = "Tuning the physisorption of molecular hydrogen",
	year = 2007
}

@Article{2007-Nelson-FD,
	Author = "Stephanie M. Nelson and Lynnette R. Ferguson and William A. Denny",
	Title = "{Non-covalent ligand/DNA interactions: minor groove binding agents}",
	Journal = "Mutation Research",
	Volume = "623",
	Pages = "24–40",
	collection = "nucleic acid drugs",
	doi = "10.1016/j.mrfmmm.2007.03.012",
	year = 2007
}

@Article{2007-Oganesian-Bryan,
	Author = "Liana Oganesian and Tracy M. Bryan",
	Title = "{Physiological relevance of telomeric G-quadruplex formation: a potential drug target}",
	Journal = "BioEssays",
	Volume = "29",
	Number = "2",
	Pages = "155–165",
	collection = "nucleic acids",
	doi = "10.1002/bies.20523",
	shorttitle = "Physiological relevance of telomeric G-quadruplex formation",
	year = 2007
}

@Article{2007-Okiyama-WFNMITE,
	Author = "Y. Okiyama and Hirofumi Watanabe and Kaori Fukuzawa and Tatsuya Nakano and Yuji Mochizuki and Takeshi Ishikawa and Shigenori Tanaka and K. Ebina",
	Title = "{Application of the fragment molecular orbital method for determination of atomic charges on polypeptides}",
	Journal = "Chem. Phys. Lett.",
	Volume = "449",
	Number = "4-6",
	Pages = "329 – 335",
	collection = "protein structure",
	year = 2007
}

@Article{2007-Oliphant,
	Author = "Travis E. Oliphant",
	Title = "{Python for Scientific Computing}",
	Journal = "Comput. Sci. Eng.",
	Volume = "9",
	Number = "3",
	Pages = "10–20",
	collection = "informatics",
	year = 2007
}

@Article{2007-Park-KHKBH,
	Author = "Sung Chan Park and Bumjoon J. Kim and Craig J. Hawker and Edward J. Kramer and Joona Bang and Jeong Sook Ha",
	Title = "{Controlled ordering of block copolymer thin films by the addition of hydrophilic nanoparticles}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "8119–8124",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma071442z",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SFM, SEM, TEM",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-PEO@PS-PMMA",
	year = 2007
}

@Article{2007-Parkinson-GN,
	Author = "Gary N. Parkinson and Ragini Ghosh and Stephen Neidle",
	Title = "{Structural Basis for Binding of Porphyrin to Human Telomeres†,‡}",
	Journal = "Biochemistry",
	Volume = "46",
	Number = "9",
	Pages = "2390–2397",
	collection = "nucleic acid drugs",
	doi = "10.1021/bi062244n",
	year = 2007
}

@Article{2007-Patel-PK,
	Author = "Dinshaw J. Patel and Anh Tuan Phan and Vitaly Kuryavyi",
	Title = "{Human telomere, oncogenic promoter and {5'-UTR} G-quadruplexes: diverse higher order {DNA} and {RNA} targets for cancer therapeutics}",
	Journal = "Nucl. Acids Res.",
	Volume = "35",
	Number = "22",
	Pages = "7429–7455",
	collection = "nucleic acids",
	doi = "10.1093/nar",
	shorttitle = "Human telomere, oncogenic promoter and {5'-UTR} G-quadruplexes",
	year = 2007
}

@Article{2007-Pendas-FB,
	Author = "A. Martin Pendas and E. Francisco and M. A. Blanco",
	Title = "{Charge transfer, chemical potentials, and the nature of functional groups: answers from quantum chemical topology}",
	Journal = "Faraday Discuss.",
	Volume = "135",
	Pages = "423–438",
	collection = "molecular fragmentation",
	doi = "10.1039/b604983d",
	shorttitle = "Charge transfer, chemical potentials, and the nature of functional groups",
	year = 2007
}

@Article{2007-Phan-KBNP,
	Author = "Anh Tuan Phan and Vitaly Kuryavyi and Sarah Burge and Stephen Neidle and Dinshaw J. Patel",
	Title = "{{Structure of an Unprecedented {G-Quadruplex} Scaffold in the Human c-kit Promoter}53 (}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "129",
	Number = "14",
	Pages = "4386–4392",
	collection = "nucleic acids",
	doi = "10.1021/ja068739h",
	year = 2007
}

@Article{2007-Phan-KLP,
	Author = "Anh Tuan Phan and Vitaly Kuryavyi and Kim Ngoc Luu and Dinshaw J. Patel",
	Title = "{Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution}",
	Journal = "Nucl. Acids Res.",
	Volume = "35",
	Number = "19",
	Pages = "6517–6525",
	collection = "nucleic acids",
	doi = "10.1093/nar",
	year = 2007
}

@Article{2007-Pileni,
	Author = "M.-P. Pileni",
	Title = "{Self-assembly of inorganic nanocrystals: fabrication and collective intrinsic properties}",
	Journal = "Acc. Chem. Res.",
	Volume = "40",
	Pages = "685–693",
	collection = "nanotechnology",
	doi = "10.1021/ar6000582",
	year = 2007
}

@Article{2007-Politzer-LCMM,
	Author = "Peter Politzer and Pat Lane and Monica C. Concha and Yuguang Ma and Jane S. Murray",
	Title = "{An overview of halogen bonding}",
	Journal = "J. Mol. Model.",
	Volume = "13",
	Number = "2",
	Pages = "305 – 311",
	collection = "halogen bonding",
	doi = "10.1007/s00894-006-0154-7",
	keywords = "halogen bonding",
	size = "7 p.",
	year = 2007
}

@Article{2007-Politzer-MC,
	Author = "Peter Politzer and Jane S. Murray and Monica C. Concha",
	Title = "{Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors}",
	Journal = "J. Mol. Model.",
	Volume = "13",
	Number = "6-7",
	Pages = "643 – 650",
	collection = "halogen bonding",
	doi = "10.1007/s00894-007-0176-9",
	year = 2007
}

@Article{2007-Rafat-Popelier,
	Author = "Michel Rafat and Paul L. A. Popelier",
	Title = "{Long range behavior of high-rank topological multipole moments}",
	Journal = "J. Comp. Chem.",
	Volume = "28",
	Number = "4",
	Pages = "832–838",
	collection = "molecular electrostatics",
	doi = "10.1002/jcc.20610",
	keywords = "multipole expansion",
	year = 2007
}

@Article{2007-Reynwar-IHMKD,
	Author = "Benedict J. Reynwar and Gregoria Illya and Vagelis A. Harmandaris and Martin M. Müller and Kurt Kremer and Markus Deserno",
	Title = "{Aggregation and vesiculation of membrane proteins by cruvature-mediated interactions}",
	Journal = "Nature",
	Volume = "447",
	Pages = "461–464",
	collection = "lipid bilayers",
	doi = "10.1038/nature05840",
	keywords = "biological nanocomposites; cell membranes; lipid bilayers; nanospheres",
	methods = "CG MD",
	type = "Letter",
	year = 2007
}

@Article{2007-Rob-PS,
	Author = "Fazle Rob and Rafał Podeszwa and Krzysztof Szalewicz",
	Title = "{Electrostatic interaction energies with overlap effects from a localized approach}",
	Journal = "Chem. Phys. Lett.",
	Volume = "445",
	Number = "4-5",
	Pages = "315–320",
	collection = "molecular electrostatics",
	doi = "10.1016/j.cplett.2007.07.065",
	year = 2007
}

@Article{2007-Rutledge-WW,
	Author = "Lesley R. Rutledge and Craig A. Wheaton and Stacey D. Wetmore",
	Title = "{A computational characterization of the hydrogen-bonding and stacking interactions of hypoxanthine}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "9",
	Number = "4",
	Pages = "497",
	collection = "nucleic acid bases",
	doi = "10.1039/b606388h",
	year = 2007
}

@Article{2007-Schmidt-SSHFWSZBK,
	Author = "Kristin Schmidt and Heiko G. Schoberth and Frank Schubert and Helmut Hansel and Franz Fischer and Thomas M. Weiss and G. J. Agur Sevink and Andrei V. Zvelindovsky and Alexander Böker and Georg Krausch",
	Title = "{Scaling behavior of the reorientation kinetics of block copolymers exposed to electric fields}",
	Journal = "Soft Matter",
	Volume = "3",
	Number = "4",
	Pages = "448–453",
	collection = "block copolymers",
	doi = "10.1039/b614143a",
	year = 2007
}

@Article{2007-Schuchardt-DESGCLW,
	Author = "Karen L. Schuchardt and Brett T. Didier and Todd Elsethagen and Lisong Sun and Vidhya Gurumoorthi and Jared Chase and Jun Li and Theresa L. Windus",
	Title = "{Basis set exchange: a community database for computational sciences}",
	Journal = "J. Chem. Inf. Model.",
	Volume = "47",
	Pages = "1045–1052",
	collection = "cheminformatics",
	doi = "10.1021/ci600510j",
	url = "http://bse.pnl.gov",
	year = 2007
}

@Article{2007-Sen-XKYBHHHS,
	Author = "Sudeepto Sen and Yuping Xie and Sanat K. Kumar and Hoichang Yang and Amitabh Bansal and Derek L. Ho and Lisa M. Hall and Justin B. Hooper and Kenneth S. Schweizer",
	Title = "{Chain conformations and bound-layer correlations in polymer nanocomposites}",
	Journal = "Phys. Rev. Lett.",
	Volume = "98",
	Pages = "128302",
	collection = "polymer nanocomposites",
	doi = "10.1103/PhysRevLett.98.128302",
	keywords = "polymer nanocomposites",
	year = 2007
}

@Article{2007-Shields-Mourik,
	Author = "Ashley E. Shields and {Tanja van} Mourik",
	Title = "{Comparison of ab initio and DFT electronic structure methods for peptides containing an aromatic ring: Effect of dispersion and BSSE}",
	Journal = "J. Phys. Chem. A",
	Volume = "111",
	Pages = "13272–13277",
	collection = "basis set superposition",
	doi = "10.1021/jp076496p",
	year = 2007
}

@Article{2007-Skwara-BZGL,
	Author = "Bartłomiej Skwara and Wojciech Bartkowiak and Agnieszka Zawada and Robert W. Góra and Jerzy Leszczyński",
	Title = "{On the cooperativity of the interaction-induced (hyper)polarizabilities of the selected hydrogen-bonded trimers}",
	Journal = "Chem. Phys. Lett.",
	Volume = "436",
	Pages = "116–123",
	collection = "molecular interactions",
	doi = "10.1016/j.cplett.2007.01.032",
	year = 2007
}

@Article{2007-Snyder,
	Author = "Ronald D. Snyder",
	Title = "{Assessment of atypical DNA intercalating agents in biological and in silico systems}",
	Journal = "Mutation Research",
	Volume = "623",
	Pages = "72–82",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.mrfmmm.2007.03.006",
	year = 2007
}

@Article{2007-Stephens-PB,
	Author = "Frances H. Stephens and Vincent Pons and R. Tom Baker",
	Title = "{Ammonia-borane: the hydrogen source par excellence?}",
	Journal = "Dalton Trans.",
	Number = "25",
	Pages = "2613",
	collection = "hydrogen sorption",
	doi = "10.1039/b703053c",
	shorttitle = "Ammonia?",
	year = 2007
}

@Article{2007-Stone-Misquitta,
	Author = "Anthony J. Stone and Alston J. Misquitta",
	Title = "{Atom-atom potentials from ab initio calculations}",
	Journal = "Int. Rev. Phys. Chem.",
	Volume = "26",
	Number = "1",
	Pages = "193–222",
	collection = "molecular interactions",
	doi = "10.1080/01442350601081931",
	year = 2007
}

@Article{2007-Stoykovich-KDLLPMN,
	Author = "Mark P. Stoykovich and Huiman Kang and Kostas Ch. Daoulas and Guoliang Liu and Chi-Chun Liu and Juan J. de Pablo and Marcus Müller and Paul F. Nealey",
	Title = "{Directed self-assembly of block copolymers for nanolithography: fabrication of isolated features and essential integrated circuit geometries}",
	Journal = "ACS Nano",
	Volume = "1",
	Number = "3",
	Pages = "168–175",
	collection = "nanotechnology",
	doi = "10.1021/nn700164p",
	keywords = "block copolymers",
	year = 2007
}

@Article{2007-Strekowski-Wilson,
	Author = "Lucjan Strekowski and Beth Wilson",
	Title = "{Noncovalent interactions with DNA: an overview}",
	Journal = "Mutation Research",
	Volume = "623",
	Pages = "3–13",
	collection = "nucleic acid drugs",
	doi = "10.1016/j.mrfmmm.2007.03.008",
	year = 2007
}

@Article{2007-Swart-WGB,
	Author = "Marcel Swart and Tushar Wijst and Célia Fonseca Guerra and F. Matthias Bickelhaupt",
	Title = "{π-π stacking tackled with density functional theory}",
	Journal = "J. Mol. Model.",
	Volume = "13",
	Number = "12",
	Pages = "1245–1257",
	collection = "stacking",
	doi = "10.1007/s00894-007-0239-y",
	year = 2007
}

@Article{2007-Thar-HK,
	Author = "Jens Thar and Rainer Hovorka and Barbara Kirchner",
	Title = "{Basis set superposition error along the free-energy surface of the water dimer}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "3",
	Pages = "1510–1517",
	collection = "basis set superposition",
	doi = "10.1021/ct600259x",
	systems = "water dimer",
	year = 2007
}

@Article{2007-Thomas-Hernenrother,
	Author = "Jason R. Thomas and Paul J. Hernenrother",
	Title = "{Targeting {RNA} with small molecules}",
	Journal = "Chem. Rev.",
	Volume = "108",
	Number = "4",
	Pages = "1171–1224",
	collection = "nucleic acid drugs",
	doi = "10.1021/cr0681546",
	year = 2007
}

@Article{2007-Trogdon-MCP,
	Author = "G. Trogdon and Jane S. Murray and Monica C. Concha and Peter Politzer",
	Title = "{Molecular surface electrostatic potentials and anesthetic activity}",
	Journal = "J. Mol. Model.",
	Volume = "13",
	Number = "2",
	Pages = "313 – 318",
	collection = "halogen bonding",
	doi = "10.1007/s00894-006-0145-8",
	year = 2007
}

@Article{2007-Vaia-Maguire,
	Author = "Richard A. Vaia and John F. Maguire",
	Title = "{Polymer nanocomposites with prescribed morphology: going beyond nanoparticle-filled polymers}",
	Journal = "Chem. Mater.",
	Volume = "19",
	Pages = "2736–2751",
	collection = "polymer nanocomposites",
	doi = "10.1021/cm062693",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2007
}

@Article{2007-Wu-Li,
	Author = "Jianzhong Wu and Zhidong Li",
	Title = "{Density-functional theory for complex fluids}",
	Journal = "Annu. Rev. Phys. Chem.",
	Volume = "58",
	Pages = "85–112",
	Note = "A thoughtful review packed with valuable references.",
	collection = "statistical mechanics",
	doi = "10.1146/annurev.physchem.58.032806.104650",
	rating = "3",
	read = "2011-03-17",
	type = "Review",
	year = 2007
}

@Article{2007-Wu-ZWC,
	Author = "J. Y. Wu and J. C. Zhang and Z. X. Wang and W. L. Cao",
	Title = "{Theoretical study on intermolecular interactions in {B}r{F}/{H}n{X} adducts}",
	Journal = "Chem. Phys.",
	Volume = "338",
	Number = "1",
	Pages = "69 – 74",
	collection = "halogen bonding",
	doi = "10.1016/j.chemphys.2007.07.043",
	year = 2007
}

@Article{2007-Zhang-LL,
	Author = "Liangshun Zhang and Jiaping Lin and Shaoliang Lin",
	Title = "{Self-assembly behavior of amphiphilic block copolymer-nanoparticle mixture in dilute solution studied by self-consistent-field theory and density functional theory}",
	Journal = "Macromolecules",
	Volume = "40",
	Pages = "5582–5592",
	Note = "Shows association and encapsulation of NPs in dilute solutions.",
	collection = "polymers",
	doi = "10.1021/ma070986y",
	keywords = "block copolymers; nanospheres; polymer mixtures",
	year = 2007
}

@Article{2007-Zou-HEW,
	Author = "Shan Zou and Rui Hong and Todd Emrick and Gilbert C. Walker",
	Title = "{Ordered CdSe nanoparticles within self-assembled block copolymer domains on surfaces}",
	Journal = "Langmuir",
	Volume = "23",
	Pages = "1612–1614",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/la0629274",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "AFM, SEM",
	rating = "2",
	read = "2012-03-21",
	systems = "CdSe-PEO@PS-P2VP, CdSe-TOPO@PS",
	year = 2007
}

@Article{2008-Allegra-RV,
	Author = "Giuseppe Allegra and Guido Raos and Michele Vacatello",
	Title = "{Theories and simulations of polymer-based nanocomposites: from chain statistics to reinforcement}",
	Journal = "Prog. Polym. Sci.",
	Volume = "33",
	Pages = "683–731",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.progpolymsci.2008.02.003",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2008
}

@Article{2008-Antypov-Elliott,
	Author = "Dmytro Antypov and James A. Elliott",
	Title = "{Wang-Landau simulation of polymer-nanoparticle mixtures}",
	Journal = "Macromolecules",
	Volume = "41",
	Pages = "7243–7250",
	collection = "polymers",
	doi = "10.1021/ma8012652",
	keywords = "polymer mixtures; lattice model",
	year = 2008
}

@Article{2008-Asturiol-DS,
	Author = "David Asturiol and Miquel Duran and Pedro Salvador",
	Title = "{Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Pages = "",
	collection = "basis set superposition",
	doi = "10.1063/1.2902974",
	year = 2008
}

@Article{2008-Bader,
	Author = "Richard F. W. Bader",
	Title = "{Nearsightedness of electronic matter as seen by a physicist and a chemist}",
	Journal = "J. Phys. Chem. A",
	Volume = "112",
	Number = "51",
	Pages = "13717–13728",
	collection = "quantum chemistry",
	doi = "10.1021/jp806282j",
	methods = "AIM",
	year = 2008
}

@Article{2008-Barone-GGSLAB,
	Author = "Giampaolo Barone and Célia Fonseca Guerra and Noemi Gambino and Arturo Silvestri and Antonino Lauria and Anna Maria Almerico and F. Matthias Bickelhaupt",
	Title = "{Intercalation of daunomycin into stacked {DNA} base pairs. DFT study of an anticancer drug}",
	Journal = "J. Biomol. Struct. Dyn.",
	Volume = "26",
	Pages = "115–129",
	collection = "nucleic acid intercalation",
	keywords = "intercalation; stacking",
	year = 2008
}

@Article{2008-Berg-Arean,
	Author = "{A. W. C. van den} Berg and C. O. Arean",
	Title = "{Materials for hydrogen storage: current research trends and perspectives}",
	Journal = "Chem. Commun.",
	Number = "6",
	Pages = "668",
	collection = "hydrogen sorption",
	doi = "10.1039/b712576n",
	shorttitle = "Materials for hydrogen storage",
	year = 2008
}

@Article{2008-Bludsky-RS,
	Author = "Ota Bludský and Miroslav Rubeš and Pavel Soldán",
	Title = "{Ab initio investigation of intermolecular interactions in solid benzene}",
	Journal = "Phys. Rev. B",
	Volume = "77",
	Number = "9",
	Pages = "092103",
	collection = "stacking",
	doi = "10.1103/PhysRevB.77.092103",
	year = 2008
}

@Article{2008-Bludsky-RSN,
	Author = "Ota Bludský and Miroslav Rubeš and Pavel Soldán and Petr Nachtigall",
	Title = "{Investigation of the benzene-dimer potential energy surface: {DFT/CCSD(T)} correction scheme}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Number = "11",
	Pages = "114102",
	collection = "stacking",
	doi = "10.1063/1.2890968",
	methods = "CCSD(T)",
	shorttitle = "Investigation of the benzene-dimer potential energy surface",
	year = 2008
}

@Article{2008-Brown-MMA,
	Author = "D. Brown and V. Marcadon and P. Mele and N. D. Alberola",
	Title = "{Effect of filler particle size on the properties of model nanocomposites}",
	Journal = "Macromolecules",
	Volume = "41",
	Pages = "1499–1511",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma701940j",
	keywords = "nanospheres; polymer nanocomposites",
	year = 2008
}

@Article{2008-Cabria-LA,
	Author = "I. Cabria and M. J. Lopez and J. A. Alonso",
	Title = "{Hydrogen storage capacities of nanoporous carbon calculated by density functional and {Møller–Plesset} methods}",
	Journal = "Phys. Rev. B",
	Volume = "78",
	Number = "7",
	Pages = "075415–9",
	collection = "hydrogen sorption",
	doi = "10.1103/PhysRevB.78.075415",
	year = 2008
}

@Article{2008-Cates-Clegg,
	Author = "Michael E. Cates and Paul S. Clegg",
	Title = "{Bijels: a new lcass of soft materials}",
	Journal = "Soft Matter",
	Volume = "4",
	Pages = "2132–2138",
	collection = "jamming",
	doi = "10.1039/b807312k",
	keywords = "jamming; suspensions",
	type = "Highlight",
	year = 2008
}

@Article{2008-Chai-Buriak,
	Author = "Jinan Chai and Jilian M. Buriak",
	Title = "{Using cylindrical domains of block copolymers to self-assemble and align metallic nanowires}",
	Journal = "ACS Nano",
	Volume = "2",
	Number = "3",
	Pages = "489–501",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nn700341s",
	keywords = "alignment; block copolymers; nanowires; thin films",
	methods = "XPS, AFM, SEM, Auger",
	systems = "Pt(wires)@PS-P2VP",
	year = 2008
}

@Article{2008-Cian-LDTTRM,
	Author = "Anne De Cian and Laurent Lacroix and Céline Douarre and Nassima {Temime-Smaali} and Chantal Trentesaux and {Jean-François} Riou and {Jean-Louis} Mergny",
	Title = "{Targeting telomeres and telomerase}",
	Journal = "Biochimie",
	Volume = "90",
	Number = "1",
	Pages = "131–155",
	collection = "nucleic acid drugs",
	doi = "10.1016/j.biochi.2007.07.011",
	year = 2008
}

@Article{2008-Cooper-TPSLL,
	Author = "Valentino R. Cooper and Timo Thonhauser and Aaron Puzder and Elsebeth Schröder and Bengt I. Lundqvist and David C. Langreth",
	Title = "{Stacking Interactions and the twist of {DNA}}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "130",
	Number = "4",
	Pages = "1304–1308",
	collection = "stacking",
	doi = "10.1021/ja0761941",
	year = 2008
}

@Article{2008-Copeland-AFCT,
	Author = "Kari L. Copeland and Julie A. Anderson and Adam R. Farley and James R. Cox and Gregory S. Tschumper",
	Title = "{Probing {Phenylalanine/Adenine} {π-Stacking} Interactions in Protein Complexes with Explicitly Correlated and {CCSD(T)} Computations}",
	Journal = "J. Phys. Chem. B",
	Volume = "112",
	Number = "45",
	Pages = "14291–14295",
	collection = "stacking",
	doi = "10.1021/jp805528v",
	keywords = "aromatic stacking",
	year = 2008
}

@Article{2008-Cysewski-CZC,
	Author = "Piotr Cysewski and Żaneta Czyżnikowska and Robert Zaleśny and Przemyslaw Czeleń",
	Title = "{The {post-SCF} quantum chemistry characteristics of the guanine–guanine stacking {B-DNA}}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "10",
	Number = "19",
	Pages = "2665",
	collection = "stacking",
	doi = "10.1039/b718635e",
	year = 2008
}

@Article{2008-Darley-HP,
	Author = "Michael G. Darley and Chris M. Handley and Paul L. A. Popelier",
	Title = "{Beyond Point Charges: Dynamic Polarization from Neural Net Predicted Multipole Moments}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "4",
	Number = "9",
	Pages = "1435–1448",
	collection = "molecular electrostatics",
	doi = "10.1021/ct800166r",
	shorttitle = "Beyond Point Charges",
	year = 2008
}

@Article{2008-Dean-Ghemawat,
	Author = "Jeffrey Dean and Sanjay Ghemawat",
	Title = "{MapReduce: simplified data processing on large clusters}",
	Journal = "Commun. ACM",
	Volume = "51",
	Number = "1",
	Pages = "107–113",
	collection = "informatics",
	doi = "10.1145/1327452.1327492",
	keywords = "big data",
	rating = "2",
	read = "2013-07-05",
	year = 2008
}

@Article{2008-Detcheverry-KDMNP,
	Author = "François A. Detcheverry and Huiman Kang and Kostas Ch. Daoulas and Marcus Müller and Paul F. Nealey and Juan J. {de Pablo}",
	Title = "{Monte Carlo Simulations of a Coarse Grain Model for Block Copolymers and Nanocomposites}",
	Journal = "Macromolecules",
	Volume = "41",
	Number = "13",
	Pages = "4989–5001",
	Note = "Demonstrates MC for a field-based polymer model and explicitely-interacting particles.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma702514v",
	keywords = "alignment; block copolymers; nanospheres; patterned substrates; polymer nanocomposites; thin films",
	methods = "SEM, MC with mean fields",
	systems = "CdSe-TDPA@PS-PMMA",
	year = 2008
}

@Article{2008-Dryza-PB,
	Author = "V. Dryza and B. L. J. Poad and E. J. Bieske",
	Title = "{Attachment of molecular hydrogen to an isolated boron cation: an infrared and ab initio study}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "130",
	Pages = "12986–12991",
	collection = "hydrogen sorption",
	doi = "10.1021/ja8018302",
	year = 2008
}

@Article{2008-Dyguda-Kazimierowicz-SL,
	Author = "Edyta Dyguda-Kazimierowicz and W. Andrzej Sokalski and Jerzy Leszczyński",
	Title = "{Gas-phase mechanisms of degradation of hazardous organophosphorous compounds: do they follow a common pattern of alkaline hydrolysis reaction as in phosphotriesterase?}",
	Journal = "J. Phys. Chem. B",
	Volume = "112",
	Pages = "9982–9991",
	collection = "molecular reactions",
	doi = "10.1021/jp800386f",
	year = 2008
}

@Article{2008-Escudero-FQD,
	Author = "Daniel Escudero and Antonio Frontera and David Quiñonero and Pere M. Deya",
	Title = "{On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-pi complexes}",
	Journal = "Chem. Phys. Lett.",
	Volume = "455",
	Pages = "325–330",
	collection = "basis set superposition",
	doi = "10.1016/j.cplett.2008.02.074",
	keywords = "basis set superposition error; counterpoise correction",
	year = 2008
}

@Article{2008-Fiethen-JHS,
	Author = "Annamaria Fiethen and Georg Jansen and Andreas Heßelmann and Martin Schütz",
	Title = "{Stacking energies for average B-DNA structures form the combined density functional theory and symmetry-adapted perturbation theory approach}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "130",
	Pages = "1802–1803",
	collection = "stacking",
	doi = "10.1021/ja076781m",
	year = 2008
}

@Article{2008-Gaines-SSBTRS,
	Author = "Michelle K. Gaines and Steven D. Smith and Jon Samseth and Michael R. Bockstaller and Russell B. Thompson and Kim O. Rasmussen and Richard J. Spontak",
	Title = "{Nanoparticle-regulated phase behavior of ordered block coplymers}",
	Journal = "Soft Matter",
	Volume = "4",
	Pages = "1609–1612",
	Note = "Shows experimental verification for predicted increased ODT in diblock nanocomposites.",
	collection = "block copolymer nanocomposites",
	doi = "10.1039/b805540h",
	keywords = "block copolymers; mesophase transitions; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "rheometry, GPC, NMR, SCFT/DFT",
	systems = "silica-OH@PS-PMMA, silica-MMA@PS-PMMA, silica-octyl@PS-PMMA, silica-PS@PS-PMMA",
	year = 2008
}

@Article{2008-Ganesan,
	Author = "Venkat Ganesan",
	Title = "{Some issues in polymer nanocomposites: theoretical and modeling opportunities for polymer phsyics}",
	Journal = "J. Polym. Sci. Pt. B-Polym. Phys.",
	Volume = "46",
	Pages = "2666–2671",
	collection = "polymer nanocomposites",
	doi = "10.1002/polb.21587",
	keywords = "polymer nanocomposites",
	type = "Viewpoint",
	year = 2008
}

@Article{2008-Gao-SZ,
	Author = "Yi Gao and Nan Shao and Xiao Cheng Zeng",
	Title = "{Ab initio study of thiolate-protected Au102 nanocluster}",
	Journal = "ACS Nano",
	Volume = "2",
	Number = "7",
	Pages = "1497–1503",
	collection = "nanoparticles",
	doi = "10.1021/nn800268w",
	keywords = "nanoparticle structure",
	year = 2008
}

@Article{2008-Gkionis-PH,
	Author = "Konstantinos Gkionis and James A. Platts and J. Grant Hill",
	Title = "{Insights into {DNA} Binding of Ruthenium Arene Complexes: Role of Hydrogen Bonding and π Stacking}",
	Journal = "Inorg. Chem.",
	Volume = "47",
	Number = "9",
	Pages = "3893–3902",
	collection = "nucleic acid bases",
	doi = "10.1021/ic702459h",
	keywords = "hydrogen bonding; aromatic stacking",
	shorttitle = "Insights into {DNA} Binding of Ruthenium Arene Complexes",
	year = 2008
}

@Article{2008-Gramada-Bourne,
	Author = "Apostol Gramada and Philip E. Bourne",
	Title = "{Resolving a distribution of charge into intrinsic multipole moments: a rankwise distirbuted multipole analysis}",
	Journal = "Phys. Rev. E",
	Volume = "78",
	Pages = "066601",
	collection = "molecular electrostatics",
	doi = "10.1103/PhysRevE.78.066601",
	year = 2008
}

@Article{2008-Grimme,
	Author = "Stefan Grimme",
	Title = "{Do Special Noncovalent π–π Stacking Interactions Really Exist?}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "47",
	Number = "18",
	Pages = "3430–3434",
	collection = "stacking",
	doi = "10.1002/anie.200705157",
	year = 2008
}

@Article{2008-Hamilton-BSM,
	Author = "Charles W. Hamilton and R. Tom Baker and Anne Staubitz and Ian Manners",
	Title = "{B-N compounds for chemical hydrogen storage}",
	Journal = "Chem. Soc. Rev.",
	Volume = "38",
	Pages = "279–293",
	collection = "hydrogen sorption",
	doi = "10.1039/b800312m",
	year = 2009
}

@Article{2008-He-ZL,
	Author = "Linli He and Linxi Zhang and Haojun Liang",
	Title = "{The effects of nanoparticles on the lamellar phase separation of diblock copolymers}",
	Journal = "J. Phys. Chem. B",
	Volume = "112",
	Pages = "4194–4203",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/jp0757412",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "DPD",
	rating = "2",
	read = "2012-03-21",
	year = 2008
}

@Article{2008-Hesselman,
	Author = "Andreas Heßelmann",
	Title = "{Improved supermolecular second order Møller–Plesset intermolecular interaction energies using time-dependent density functional response theory}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Pages = "144112",
	collection = "molecular interactions",
	doi = "10.1063/1.2905808",
	year = 2008
}

@Article{2008-Honda-Kawakatsu,
	Author = "Takashi Honda and Toshihiro Kawakatsu",
	Title = "{Hydrodynamic effects on the disorder-to-order transitions of diblock copolymer melts}",
	Journal = "J. Chem. Phys.",
	Volume = "129",
	Pages = "114904",
	collection = "block copolymers",
	doi = "10.1063/1.2977742",
	keywords = "block copolymers; hydrodynamics",
	year = 2008
}

@Article{2008-Huppert,
	Author = "Julian Leon Huppert",
	Title = "{Four-stranded nucleic acids: structure, function and targeting of G-quadruplexes}",
	Journal = "Chem. Soc. Rev.",
	Volume = "37",
	Number = "7",
	Pages = "1375–1384",
	collection = "nucleic acid drugs",
	doi = "10.1039/b702491f",
	shorttitle = "Four-stranded nucleic acids",
	year = 2008
}

@Article{2008-Improta,
	Author = "Roberto Improta",
	Title = "{The excited states of pi-stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "10",
	Pages = "2656–2664",
	collection = "stacking",
	doi = "10.1039/b718562f",
	year = 2008
}

@Article{2008-Iwata-FNAMWT,
	Author = "T. Iwata and Kaori Fukuzawa and K. Nakajima and S. Aida-Hyugaji and Yuji Mochizuki and Hirofumi Watanabe and Shigenori Tanaka",
	Title = "{Theoretical analysis of binding specificity of influenza viral hemagglutinin to avian and human receptors based on the fragment molecular orbital method}",
	Journal = "Comput. Biol. Chem.",
	Volume = "32",
	Number = "3",
	Pages = "198 – 211",
	collection = "viruses",
	year = 2008
}

@Article{2008-Janowski-Pulay,
	Author = "Tomasz Janowski and Peter Pulay",
	Title = "{Efficient parallel implementation of the CCSD external exchange operator and the perturbative triples (T) energy calculation}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "4",
	Pages = "1585–1592",
	collection = "cheminformatics",
	doi = "10.1021/ct800142f",
	keywords = "algorithms",
	year = 2008
}

@Article{2008-Jayaraman-Schweizer,
	Author = "Arthi Jayaraman and Kenneth S. Schweizer",
	Title = "{Effect of the number and placement of polymer tethers on the structure of concenctrated solutions and melts of hybrid nanoparticles}",
	Journal = "Langmuir",
	Volume = "24",
	Pages = "11119–11130",
	collection = "polymer nanocomposites",
	doi = "10.1021/la801432b",
	keywords = "self-assembly; nanoparticle grafts; nanospheres",
	year = 2008
}

@Article{2008-Jayaraman-Schweizer-1,
	Author = "Arthi Jayaraman and Kenneth S. Schweizer",
	Title = "{Effective interactions, structure, and phase behavior of lightly tethered nanoparticles in polymer melts}",
	Journal = "Macromolecules",
	Volume = "41",
	Pages = "9430–9438",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma801722m",
	keywords = "self-assembly; nanoparticle grafts; nanospheres; polymer nanocomposites",
	year = 2008
}

@Article{2008-Jayaraman-Schweizer-2,
	Author = "Arthi Jayaraman and Kenneth S. Schweizer",
	Title = "{Structure and assembly of dense solutions and melts of single tethered nanoparticles}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Pages = "164904",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.2907717",
	keywords = "self-assembly; nanoparticle grafts; nanospheres",
	year = 2008
}

@Article{2008-Jeziorska-CPJS,
	Author = "Małgorzata Jeziorska and Wojciech Cencek and Konrad Patkowski and Bogumił Jeziorski and Krzysztof Szalewicz",
	Title = "{Complete basis set extrapolations of dispersion, exchange, and coupled-clusters contributions to the interaction energy: a helium dimer study}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "108",
	Number = "12",
	Pages = "2053–2075",
	collection = "basis set dependence",
	doi = "10.1002/qua.21722",
	shorttitle = "Complete basis set extrapolations of dispersion, exchange, and coupled-clusters contributions to the interaction energy",
	year = 2008
}

@Article{2008-Jin-Wu,
	Author = "Jiezhu Jin and Jianzhong Wu",
	Title = "{A theoretical study for nanoparticle partitioning in the lamellae of diblock copolymers}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Pages = "074901",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.2827470",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "DFT",
	year = 2008
}

@Article{2008-Kalra-LLLMWJ,
	Author = "Vibha Kalra and Jinwoo Lee and Hun Lee and Seung Goo Lee and Manuel Marquez and Ulrich Wiesner and Yong Lak Joo",
	Title = "{Controlling nanoparticle location via confined assembly in electrospun block copolymer nanofibers}",
	Journal = "Small",
	Volume = "4",
	Number = "11",
	Pages = "2067–1073",
	Note = "Demonstrates selective incorporation of magnetite NPs in electrospun PS-b-PI nanofibers.",
	collection = "block copolymer nanocomposites",
	keywords = "block copolymers; thin fibers; nanospheres; polymer nanocomposites",
	methods = "physisorption, absorbance, Raman, SAXS, powder XRD, TEM, SEM, SQUID",
	systems = "magnetite-oleyl@PS-PI",
	year = 2008
}

@Article{2008-Kamp-Mulholland,
	Author = "{Marc W. van der} Kamp and Adrian J. Mulholland",
	Title = "{Computational enzymology: insight into biological catalysts from modelling}",
	Journal = "Nat. Prod. Rep.",
	Volume = "25",
	Pages = "1001–1014",
	collection = "enzymes",
	doi = "10.1039/b600517a",
	year = 2008
}

@Article{2008-Kang-DMSDHMPN,
	Author = "Huiman Kang and François A. Detcheverry and Andrew N. Mangham and Mark. P Stoykovich and Kostas Ch. Daoulas and Robert J. Hamers and Marcus Müller and Juan J. {de Pablo} and Paul F. Nealey",
	Title = "{Hierarchical assembly of nanoparticle superstructures from block copolymer-nanoparticle composites}",
	Journal = "Phys. Rev. Lett.",
	Volume = "100",
	Number = "14",
	Pages = "148303",
	Note = "Shows CdSe-TDPA/PS-b-PMMA film on a nanopatterned substrate, complemented by MC simulations.",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevLett.100.148303",
	keywords = "alignment; block copolymers; nanospheres; patterned substrates; polymer nanocomposites; thin films",
	methods = "SEM, MC with mean fields",
	systems = "CdSe-TDPA@PS-PMMA",
	year = 2008
}

@Article{2008-Kavanagh-JPO,
	Author = "K. L. Kavanagh and H. Jörnvall and B. Persson and U. Oppermann",
	Title = "{The SDR superfamily: functionl and stuctural diversity within a family of metabolic and regulatory enzymes}",
	Journal = "Cell. Mol. Life Sci.",
	Volume = "65",
	Pages = "3895–3906",
	Note = "Page 3896: The catalytic base in the majority of SDRs is a highly but not strictly conserved Tyr residue (..); Page 3897: (..) the only unifying criterion for SDRs is the Rossmann-fold scaffold and its ability to bind NAD(P) dinucleotides.",
	cited = "125 (2013-09-09)",
	collection = "proteins",
	doi = "10.1007/s00018-008-8588-y",
	rating = "2",
	read = "2013-09-09",
	systems = "SDR",
	year = 2008
}

@Article{2008-Kim-FK,
	Author = "Bumjoon J. Kim and Glenn H. Fredrickson and Edward J. Kramer",
	Title = "{Effect of polymer ligand molecular weight on polymer-coated nanoparticle location in block copolymers}",
	Journal = "Macromolecules",
	Volume = "41",
	Pages = "436–447",
	Note = "Reports observed distributions of PS-coated NPs in PS-b-P2VP lamellae as a function of coating density.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma701931z",
	keywords = "block copolymers; nanoparticle distribution; nanoparticle grafts; nanospheres; polymer nanocomposites",
	methods = "TGA, TEM",
	systems = "Au-PS@PS-P2VP",
	year = 2008
}

@Article{2008-Kim-Matsen,
	Author = "Jaeup U. Kim and Mark W. Matsen",
	Title = "{Interaction between polymer-grafted particles}",
	Journal = "Macromolecules",
	Volume = "41",
	Pages = "4435–4443",
	collection = "nanoparticles",
	doi = "10.1021/ma8002856",
	keywords = "nanoparticle grafts; nanospheres",
	year = 2008
}

@Article{2008-Klontzas-MTF,
	Author = "Emmanouel Klontzas and Andreas Mavrandonakis and Emmanuel Tylianakis and George E. Froudakis",
	Title = "{Improving Hydrogen Storage Capacity of {MOF} by Functionalization of the Organic Linker with Lithium Atoms}",
	Journal = "Nano Lett.",
	Volume = "8",
	Number = "6",
	Pages = "1572–1576",
	collection = "hydrogen sorption",
	doi = "10.1021/nl072941g",
	year = 2008
}

@Article{2008-Knorowski-AT,
	Author = "C. D. Knorowski and Joshua A. Anderson and Alex Travesset",
	Title = "{Self-assembled ordered polymer nanocomposites directed by attractive particles}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Pages = "164903",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.2907744",
	keywords = "block copolymers; mesophase coexistence; mesophase transitions; nanopinning; nanospheres; polymer nanocomposites",
	methods = "CG MD",
	year = 2008
}

@Article{2008-Kosloff-Kolodny,
	Author = "Mickey Kosloff and Rachel Kolodny",
	Title = "{Sequence-similar, structure-dissimilar protein pairs in the PDB}",
	Journal = "Proteins",
	Volume = "71",
	Pages = "891–902",
	collection = "protein structure",
	doi = "10.1002/prot.21770",
	keywords = "homology",
	year = 2008
}

@Article{2008-Kostjukov-KDE,
	Author = "Viktor V. Kostjukov and N. M. Khomytova and D. B. Davies and M. P. Evstigneev",
	Title = "{Electrostatic contribution to the energy of binding of aromatic ligands with DNA}",
	Journal = "Biopolymers",
	Volume = "89",
	Number = "8",
	Pages = "680–690",
	collection = "nucleic acid intercalation",
	doi = "10.1002/bip.20985",
	year = 2008
}

@Article{2008-Kozurkova-SJMKUSFKI,
	Author = "Mária Kožurková and Danica Sabolová and Ladislav Janovec and Jaromir Mikeš and Ján Koval and Ján Ungvarský and Miroslava Štefanišinová and Peter Fedoročko and Pavol Kristian and Ján Imrich",
	Title = "{Cytotoxic activity of proflavine diureas: Synthesis, antitumor, evaluation and DNA binding properties of 1',1”-(acridin-3,6-diyl)-3',3”-dialkyldiureas}",
	Journal = "Bioorg. Med. Chem.",
	Volume = "16",
	Number = "7",
	Pages = "3976–3984",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.bmc.2008.01.026",
	year = 2008
}

@Article{2008-Ladik-BB,
	Author = "Janos Ladik and Attila Bende and Ferenc Bogar",
	Title = "{The electronic structure of the four nucleotide bases in DNA, of their stacks, and of their homopolynucleotides in the absence and presence of water}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Pages = "105101",
	collection = "nucleic acid bases",
	doi = "10.1063/1.2832860",
	year = 2008
}

@Article{2008-Lane-CGT,
	Author = "Andrew N. Lane and Jonathan B. Chaires and Robert D. Gray and John O. Trent",
	Title = "{{Stability and kinetics of G-quadruplex structures}40 (20}",
	Journal = "Nucl. Acids Res.",
	Volume = "36",
	Number = "17",
	Pages = "5482–5515",
	collection = "nucleic acids",
	doi = "10.1093/nar",
	year = 2008
}

@Article{2008-Li-HGLWER,
	Author = "Qifang Li and Jinbo He and Elizabeth Glogowski and Xuefa Li and Jin Wang and Todd Emrick and Thomas P. Russell",
	Title = "{Responsive assemblies: gold nanoparticles with mixed ligands in microphase separated block copolymers}",
	Journal = "Adv. Mater.",
	Volume = "20",
	Pages = "1462–1466",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/adma.200702004",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "TEM, AFM, SFM, SAXS, TGA",
	rating = "2",
	read = "2012-03-21",
	systems = "Au{3nm}-(dodecanthiol,11-mercapto-1-undecanol)@PS-P2VP",
	year = 2008
}

@Article{2008-Liu-DN,
	Author = "{XiangDong} Liu and {HongYan} Diao and Norio Nishi",
	Title = "{Applied chemistry of natural {DNA}}",
	Journal = "Chem. Soc. Rev.",
	Volume = "37",
	Number = "12",
	Pages = "2745–2757",
	collection = "nucleic acids",
	doi = "10.1039/b801433g",
	year = 2008
}

@Article{2008-Lodola-MRCTPM,
	Author = "Alessio Lodola and Marco Mor and Silvia Rivara and Christo Christov and Giorgio Tarzia and Daniele Piomelli and Adrian J. Mulholland",
	Title = "{Identification of productive inhibitor binding orientation in fatty acid amide hydrolase (FAAH) by QM/MM mechanistic modelling}",
	Journal = "Chem. Commun.",
	Volume = "2",
	Pages = "214–216",
	collection = "enzymes",
	doi = "10.1039/b714136j",
	year = 2008
}

@Article{2008-Marsili-CSP,
	Author = "Simone Marsili and Riccardo Chelli and Vincenzo Schettino and Piero Procacci",
	Title = "{Thermodynamics of stacking interactions in proteins}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "10",
	Number = "19",
	Pages = "2673",
	collection = "stacking",
	doi = "10.1039/b718519g",
	year = 2008
}

@Article{2008-Matsen-Thompson,
	Author = "Mark W. Matsen and Russell B. Thompson",
	Title = "{Particle distributions in a block copolymer nanocomposite}",
	Journal = "Macromolecules",
	Volume = "41",
	Pages = "1853–1860",
	Note = "Discusses NP distribution in diblock lammellae in the dilute limit, as a function of size and selectivity.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma7024545",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SCFT/DFT",
	year = 2008
}

@Article{2008-Mavrandonakis-Klopper,
	Author = "Andreas Mavrandonakis and Wim Klopper",
	Title = "{{First-Principles} Study of Single and Multiple Dihydrogen Interaction with Lithium Containing Benzene Molecules}",
	Journal = "J. Phys. Chem. C",
	Volume = "112",
	Number = "30",
	Pages = "11580–11585",
	collection = "hydrogen sorption",
	doi = "10.1021/jp8021369",
	methods = "DFT, MP2, CSSD(T)",
	systems = "dihydrogen near aromatics",
	year = 2008
}

@Article{2008-McGarrity-FM,
	Author = "Erin S. McGarrity and Amalie L. Frischknecht and Michael E. Mackay",
	Title = "{Phase behavior of polymer-nanoparticle blends near a substrate}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Pages = "154904",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.2899329",
	keywords = "polymer nanocomposites",
	year = 2008
}

@Article{2008-Milchev-DB,
	Author = "A. Milchev and D. I. Dimitrov and K. Binder",
	Title = "{Excess free energy of nanoparticles in a polymer brush}",
	Journal = "Polymer",
	Volume = "49",
	Pages = "3611–3618",
	collection = "polymer brushes",
	doi = "10.1016/j.polymer.2008.04.032",
	year = 2008
}

@Article{2008-Misquitta-WSP,
	Author = "Alston J. Misquitta and Gareth W. A. Welch and Anthony J. Stone and Sarah L. Price",
	Title = "{A first principles prediction of the crystal structure of {C6Br2ClFH2}}",
	Journal = "Chem. Phys. Lett.",
	Volume = "456",
	Number = "1-3",
	Pages = "105–109",
	collection = "molecular crystals",
	doi = "10.1016/j.cplett.2008.02.113",
	year = 2008
}

@Article{2008-Mochizuki-YMNFTWT,
	Author = "Yuji Mochizuki and Katsumi Yamashita and Tadashi Murase and Tatsuya Nakano and Kaori Fukuzawa and Kazutomo Takematsu and Hirofumi Watanabe and Shigenori Tanaka",
	Title = "{Large scale {FMO}-{MP}2 calculations on a massively parallel-vector computer}",
	Journal = "Chem. Phys. Lett.",
	Volume = "457",
	Number = "4-6",
	Pages = "396 – 403",
	collection = "cheminformatics",
	doi = "10.1016/j.cplett.2008.03.090",
	year = 2008
}

@Article{2008-Monchaud-Teulade-Fichou,
	Author = "David Monchaud and {Marie-Paule} {Teulade-Fichou}",
	Title = "{A hitchhiker's guide to G-quadruplex ligands}",
	Journal = "Org. Biomol. Chem.",
	Volume = "6",
	Number = "4",
	Pages = "627–636",
	collection = "nucleic acid drugs",
	doi = "10.1039/b714772b",
	year = 2008
}

@Article{2008-Mor-LRVDTSPCKTP,
	Author = "Marco Mor and Alessio Lodola and Silvia Rivara and Federica Vacondio and Andrea Duranti and Andrea Tontini and Silvano Sanchini and Giovanni Piersanti and Jason R. Clapper and Alvin R. King and Giorgio Tarzia and Daniele Piomelli",
	Title = "{Synthesis and quantitative structure-activity relationship of fatty acid amide hydrolase inhibitors: modulation at the n-portion of biphenyl-3-yl alkylcarbamates}",
	Journal = "J. Med. Chem.",
	Volume = "51",
	Pages = "3487–3498",
	collection = "enzymes",
	doi = "10.1021/jm701631z",
	year = 2008
}

@Article{2008-Mourik,
	Author = "{Tanja van} Mourik",
	Title = "{Basis Set Superposition Error Effects Cause the Apparent Nonexistence of the Ethene/Benzenium Ion Complex on the MP2 Potential Energy Surface}",
	Journal = "J. Phys. Chem. A",
	Volume = "112",
	Pages = "11017–11020",
	collection = "basis set superposition",
	doi = "10.1021/jp806986t",
	year = 2008
}

@Article{2008-Mukherjee-LBH,
	Author = "Arnab Mukherjee and Richard Lavery and Biman Bagchi and James T. Hynes",
	Title = "{On the Molecular Mechanism of Drug Intercalation into {DNA:} A Simulation Study of the Intercalation Pathway, Free Energy, and {DNA} Structural Changes}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "130",
	Number = "30",
	Pages = "9747–9755",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja8001666",
	shorttitle = "On the Molecular Mechanism of Drug Intercalation into {DNA}",
	year = 2008
}

@Article{2008-Nasertayoob-Shahbazian,
	Author = "Payam Nasertayoob and Shant Shahbazian",
	Title = "{Revisiting the foundations of quantum theory of atoms in molecules {(QTAIM):} The variational procedure and the zero-flux conditions}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "108",
	Number = "9",
	Pages = "1477–1484",
	collection = "molecular fragmentation",
	doi = "10.1002/qua.21665",
	year = 2008
}

@Article{2008-Neumann,
	Author = "Marcus A. Neumann",
	Title = "{{Tailor-Made} Force Fields for {Crystal-Structure} Prediction}",
	Journal = "J. Phys. Chem. B",
	Volume = "112",
	Number = "32",
	Pages = "9810–9829",
	collection = "molecular crystals",
	doi = "10.1021/jp710575h",
	keywords = "algorithms; force fields",
	year = 2008
}

@Article{2008-Nowak-Wysocki,
	Author = "Katarzyna Nowak and Stanislaw Wysocki",
	Title = "{An experimental and theoretical study of dipole moments of N-[4-(9-acridinylamino)-3-methoxyphenyl]methanesulfonamide}",
	Journal = "Spectroc. Acta Pt. A",
	Volume = "70",
	Number = "4",
	Pages = "805–810",
	collection = "nucleic acid drugs",
	doi = "10.1016/j.saa.2007.09.038",
	year = 2008
}

@Article{2008-Ou-LTHWG,
	Author = "{Tian-Miao} Ou and {Yu-Jing} Lu and {Jia-Heng} Tan and {Zhi-Shu} Huang and {Kwok-Yin} Wong and {Lian-Quan} Gu",
	Title = "{{G-Quadruplexes:} Targets in Anticancer Drug Design}",
	Journal = "ChemMedChem",
	Volume = "3",
	Number = "5",
	Pages = "690–713",
	collection = "nucleic acid drugs",
	doi = "10.1002/cmdc.200700300",
	shorttitle = "{G-Quadruplexes}",
	year = 2008
}

@Article{2008-Paul-Robeson,
	Author = "D. R. Paul and L. M. Robeson",
	Title = "{Polymer nanotechnology: nanocomposites}",
	Journal = "Polymer",
	Volume = "49",
	Pages = "3187–3204",
	Note = "Well written review, focused on clay nanocomposites.",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.polymer.2008.04.017",
	keywords = "polymer nanocomposites",
	rating = "2",
	read = "2011-11-10",
	type = "Review",
	year = 2008
}

@Article{2008-Pilme-Piquemal,
	Author = "Julien Pilme and {Jean-Philip} Piquemal",
	Title = "{Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic moments}",
	Journal = "J. Comp. Chem.",
	Volume = "29",
	Number = "9",
	Pages = "1440–1449",
	collection = "molecular electrostatics",
	doi = "10.1002/jcc.20904",
	shorttitle = "Advancing beyond charge analysis using the electronic localization function",
	year = 2008
}

@Article{2008-Pitonak-NRJUH,
	Author = "Michal Pitoňák and P. Neogrády and Jan Řezáč and Petr Jurečka and Miro Urban and Pavel Hobza",
	Title = "{Benzene Dimer: {High-Level} Wave Function and Density Functional Theory Calculations}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "4",
	Number = "11",
	Pages = "1829–1834",
	collection = "stacking",
	doi = "10.1021/ct800229h",
	shorttitle = "Benzene Dimer",
	year = 2008
}

@Article{2008-Plattner-Meuwly,
	Author = "Nuria Plattner and Markus Meuwly",
	Title = "{The role of higher {CO}-multipole moments in understanding the dynamics of photodissociated carbonmonoxide in myoglobin}",
	Journal = "Biophys. J.",
	Volume = "94",
	Number = "7",
	Pages = "2505–2515",
	collection = "molecular electrostatics",
	doi = "10.1529/biophysj.107.120519",
	systems = "carbon monoxide",
	year = 2008
}

@Article{2008-Plattner-Meuwly-1,
	Author = "Nuria Plattner and Markus Meuwly",
	Title = "{Atomistic simulations of {CO} vibrations in ices relevant to astrochemistry}",
	Journal = "ChemPhysChem",
	Volume = "9",
	Pages = "1271–1277",
	collection = "molecular electrostatics",
	doi = "10.1002/cphc.200800030",
	year = 2008
}

@Article{2008-Poad-WBBBKA,
	Author = "B. L. J. Poad and P. J. Wearne and E. J. Bieske and A. A. Buchachenko and D. I. G. Bennett and J. Klos and M. H. Alexander",
	Title = "{The Na$^{+}$–H$\_{2}$ cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations}",
	Journal = "J. Chem. Phys.",
	Volume = "129",
	Number = "18",
	Pages = "184306–8",
	collection = "hydrogen sorption",
	doi = "10.1063/1.3005785",
	shorttitle = "The Na$^{+}$–H$\_{2}$ cation complex",
	year = 2008
}

@Article{2008-Price,
	Author = "Sarah L. Price",
	Title = "{Computational prediction of organic crystal structures and polymorphism}",
	Journal = "Int. Rev. Phys. Chem.",
	Volume = "27",
	Number = "3",
	Pages = "541",
	collection = "molecular crystals",
	doi = "10.1080/01442350802102387",
	year = 2008
}

@Article{2008-Price-1,
	Author = "Sarah L. Price",
	Title = "{From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "10",
	Number = "15",
	Pages = "1996",
	collection = "molecular crystals",
	doi = "10.1039/b719351c",
	shorttitle = "From crystal structure prediction to polymorph prediction",
	year = 2008
}

@Article{2008-Reis,
	Author = "Fabio D. A. Aarao Reis",
	Title = "{Modeling self-assembly of diblock copolymer-nanoparticle composites}",
	Journal = "Macromolecules",
	Volume = "41",
	Pages = "8932–8937",
	Note = "Demonstrates the coexistence of different phases in NP/DBCP mixtures.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma801592b",
	keywords = "block copolymers; mesophase coexistence; nanospheres; mesophase transitions; polymer nanocomposites",
	methods = "CDS/BD",
	year = 2008
}

@Article{2008-Rubes-BN,
	Author = "Miroslav Rubeš and Ota Bludský and Petr Nachtigall",
	Title = "{Investigation of the {Benzene-Naphthalene} and {Naphthalene-Naphthalene} Potential Energy Surfaces: {DFT/CCSD(T)} Correction Scheme}",
	Journal = "ChemPhysChem",
	Volume = "9",
	Number = "12",
	Pages = "1702–1708",
	collection = "stacking",
	doi = "10.1002/cphc.200800274",
	shorttitle = "Investigation of the {Benzene-Naphthalene} and {Naphthalene-Naphthalene} Potential Energy Surfaces",
	year = 2008
}

@Article{2008-Rubes-Bludsky,
	Author = "Miroslav Rubeš and Ota Bludský",
	Title = "{Intermolecular π–π interactions in solids}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "10",
	Number = "19",
	Pages = "2611",
	collection = "stacking",
	doi = "10.1039/b718701g",
	year = 2008
}

@Article{2008-Rutledge-DW,
	Author = "Lesley R. Rutledge and Holly F. Durst and Stacey D. Wetmore",
	Title = "{Computational comparison of the stacking interactions between the aromatic amino acids and the natural or (cationic) methylated nucleobases}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "10",
	Number = "19",
	Pages = "2801",
	collection = "nucleic acid bases",
	doi = "10.1039/b718621e",
	year = 2008
}

@Article{2008-Rutledge-Wetmore,
	Author = "Lesley R. Rutledge and Stacey D. Wetmore",
	Title = "{Remarkably Strong {T-Shaped} Interactions between Aromatic Amino Acids and Adenine: Their Increase upon Nucleobase Methylation and a Comparison to Stacking}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "4",
	Number = "10",
	Pages = "1768–1780",
	collection = "nucleic acid bases",
	doi = "10.1021/ct8002332",
	shorttitle = "Remarkably Strong {T-Shaped} Interactions between Aromatic Amino Acids and Adenine",
	year = 2008
}

@Article{2008-Schmidt-SRZHWUKB,
	Author = "Kristin Schmidt and Heiko G. Schoberth and Markus Ruppel and Heiko Zettl and Helmut Hansel and Thomas M. Weiss and Volker Urban and Georg Krausch and Alexander Böker",
	Title = "{Reversible tuning of a block-copolymer nanostructure via electric fields}",
	Journal = "Nature Mat.",
	Volume = "7",
	Pages = "142–145",
	collection = "block copolymers",
	year = 2008
}

@Article{2008-Service,
	Author = "Robert F. Service",
	Title = "{Problem solved (sort of)}",
	Journal = "Science",
	Volume = "321",
	Pages = "784–786",
	Note = "Nice snapshot of the current state-of-the-art of protein folding, although frames the folding problem in mostly engineering terms. Quote from Peter Wolynes: 'What was called the protein folding problem 20 years ago is solved.'",
	collection = "protein structure",
	doi = "10.1126/science.321.5890.784",
	keywords = "protein folding",
	rating = "3",
	read = "2012-10-04",
	type = "News",
	year = 2008
}

@Article{2008-Sevink-Zvelindovsky,
	Author = "G. J. Agur Sevink and Andrei V. Zvelindovsky",
	Title = "{Block copolymers confined in a nanopore: Pathfinding in a curving and frustrating flatland}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Number = "8",
	Pages = "084901",
	archiveprefix = "arXiv",
	collection = "block copolymers",
	doi = "10.1063/1.2829406",
	eprint = "0712.1415v2",
	keywords = "block copolymers; nanoconfinement",
	methods = "DDFT",
	primaryclass = "cond-mat.soft",
	shorttitle = "Block copolymers confined in a nanopore",
	year = 2008
}

@Article{2008-Sknepnek-ALST,
	Author = "Rastko Sknepnek and Joshua A. Anderson and Monica H. Lamm and Jörg Schmalian and Alex Travesset",
	Title = "{Nanoparticle ordering via functionalized block copolymers in solution}",
	Journal = "ACS Nano",
	Volume = "2",
	Number = "6",
	Pages = "1259–1265",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nn8001449",
	keywords = "block copolymers; mesophase transitions; nanopinning; nanospheres; polymer nanocomposites",
	methods = "CG MD",
	year = 2008
}

@Article{2008-Skwara-KGB,
	Author = "Bartłomiej Skwara and Anna Kaczmarek and Robert W. Góra and Wojciech Bartkowiak",
	Title = "{On decomposition of itneraction-induced electric properties of HF dimer}",
	Journal = "Chem. Phys. Lett.",
	Volume = "461",
	Pages = "203–206",
	collection = "hydrogen bonding",
	doi = "10.1016/j.cplett.2008.07.019",
	systems = "HF dimer",
	year = 2008
}

@Article{2008-Soderhjelm-Ryde,
	Author = "Pär Söderhjelm and Ulf Ryde",
	Title = "{Conformational dependence of charges in protein simulations}",
	Journal = "J. Comp. Chem.",
	Volume = "30",
	Number = "5",
	Pages = "750–760",
	collection = "proteins",
	doi = "10.1002/jcc.21097",
	year = 2008
}

@Article{2008-Song-JSA,
	Author = "Kai-Xu Song and Yu-Xi Jia and Zhao-Yan Sun and Li-Jia An",
	Title = "{Lattice Boltzmann study of hydrodynamic effects in lamellar ordering process of two-dimensional quenched block copolymers}",
	Journal = "J. Chem. Phys.",
	Volume = "129",
	Pages = "144901",
	collection = "block copolymers",
	doi = "10.1063/1.2981804",
	keywords = "block copolymers; hydrodynamics",
	methods = "LB",
	year = 2008
}

@Article{2008-Sponer-RH,
	Author = "Jiří Šponer and Kevin E. Riley and Pavel Hobza",
	Title = "{Nature and magnitude of aromatic stacking of nucleic acid bases}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "10",
	Number = "19",
	Pages = "2595",
	collection = "stacking",
	doi = "10.1039/b719370j",
	year = 2008
}

@Article{2008-Stojkovic-Piantanida,
	Author = "Marijana Radić Stojković and Ivo Piantanida",
	Title = "{Tuning urea–phenanthridinium conjugates for {DNA/RNA} and base pair recognition}",
	Journal = "Tetrahedron",
	Volume = "64",
	Number = "33",
	Pages = "7807–7814",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.tet.2008.05.142",
	year = 2008
}

@Article{2008-Stone,
	Author = "Anthony J. Stone",
	Title = "{Intermolecular Potentials}",
	Journal = "Science",
	Pages = "787–789",
	collection = "molecular interactions",
	doi = "10.1126/science.1158006",
	rating = "2",
	read = "2012-06-07",
	type = "Perspective",
	year = 2008
}

@Article{2008-Szarek-DTS,
	Author = "Paweł Szarek and Edyta Dyguda-Kazimierowicz and Akitomo Tachibana and W. Andrzej Sokalski",
	Title = "{Physical nature of intermolecular interactions within cAMP-dependent protein kinase active site: differential transition state stabilization in phosphoryl transfer reaction}",
	Journal = "J. Phys. Chem. B",
	Volume = "112",
	Pages = "11819–11826",
	collection = "enzymes",
	doi = "10.1021/jp8040633",
	year = 2008
}

@Article{2008-Trewin-DC,
	Author = "Abbie Trewin and George R. Darling and Andrew I. Cooper",
	Title = "{{“Naked”} fluoride binding sites for physisorptive hydrogen storage}",
	Journal = "New J. Chem.",
	Volume = "32",
	Number = "1",
	Pages = "17–20",
	collection = "hydrogen sorption",
	doi = "10.1039/b714593d",
	year = 2008
}

@Article{2008-Tuteja-DM,
	Author = "Anish Tuteja and Phillip Duxbury and Michael E. Mackay",
	Title = "{Polymer chain swelling induced by dispersed nanoparticles}",
	Journal = "Phys. Rev. Lett.",
	Volume = "100",
	Pages = "077801",
	collection = "polymer nanocomposites",
	doi = "10.1103/PhysRevLett.100.077801",
	keywords = "polymer nanocomposites",
	year = 2008
}

@Article{2008-Valdes-KPESHR,
	Author = "Haydée Valdés and Vojtéch Klusák and Michal Pitoňák and Otto Exner and Ivo Starý and Pavel Hobza and Lubomir Rulišék",
	Title = "{Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]Helicenes and Phe-Gly-Phe tripeptide}",
	Journal = "J. Comp. Chem.",
	Volume = "29",
	Pages = "861–870",
	collection = "basis set superposition",
	doi = "10.1002/jcc.20841",
	year = 2008
}

@Article{2008-Varandas,
	Author = "A. J. C. Varandas",
	Title = "{Can extrapolation to the basis set limit be an alternative to the counterpoise correction? A study on the helium dimer}",
	Journal = "Theor. Chem. Acc.",
	Volume = "119",
	Pages = "511–521",
	collection = "basis set superposition",
	doi = "10.1007/s00214-008-0419-6",
	keywords = "basis set extrapolation; basis set superposition error",
	year = 2008
}

@Article{2008-Wang-CR,
	Author = "Jia-Yu Wang and Wei Chen and Thomas P. Russell",
	Title = "{Influence of interfacial energy on electric-field-induced sphere-to-cylinder transition in block copolymer thin films}",
	Journal = "Macromolecules",
	Volume = "41",
	Pages = "7227–7231",
	collection = "block copolymers",
	doi = "10.1021/ma800717v",
	keywords = "block copolymers",
	year = 2008
}

@Article{2008-Warren-MSKZGDW,
	Author = "Scott C. Warren and Lauren C. Messina and Liane S. Slaughter and Marleen Kamperman and Qim Zhou and Sol M. Gruner and Francis J. DiSalvo and Ulrich Wiesner",
	Title = "{Ordered mesoporous materials from metal nanoparticle-block copolymer self-assembly}",
	Journal = "Science",
	Volume = "320",
	Pages = "1748–1752",
	collection = "block copolymer nanocomposites",
	doi = "10.1126/science.1159950",
	keywords = "block copolymers; nanospheres; porosity; polymer nanocomposites",
	methods = "NMR, SAXS, powder XRD, TEM",
	systems = "Pt-ligand@PI-PDMAEMAcite",
	year = 2008
}

@Article{2008-Williams-DW,
	Author = "T. Gavin Williams and Nathan J. {DeYonker} and Angela K. Wilson",
	Title = "{{Hartree-Fock} complete basis set limit properties for transition metal diatomics}",
	Journal = "J. Chem. Phys.",
	Volume = "128",
	Number = "4",
	Pages = "044101–9",
	collection = "basis set dependence",
	doi = "10.1063/1.2822907",
	year = 2008
}

@Article{2008-Xu-OLC,
	Author = "Chen Xu and Kohji Ohno and Vincent Ladmiral and Russell J. Composto",
	Title = "{Dispersion of polymer-grafted magnetic nanoparticles in homopolymers and block copolymers}",
	Journal = "Polymer",
	Volume = "49",
	Pages = "3568–3577",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.polymer.2008.05.040",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "AFM, TEM",
	rating = "2",
	read = "2012-03-21",
	systems = "magnetite-PMMA@PMMA, magnetite-PMMA@PS-PMMA",
	year = 2008
}

@Article{2008-Zeng-YL,
	Author = "Q. H. Zeng and A. B. Yu and G. Q. Lu",
	Title = "{Multiscale modeling and simulation of polymer nanocomposites}",
	Journal = "Prog. Polym. Sci.",
	Volume = "33",
	Pages = "191–269",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.progpolymsci.2007.09.002",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2008
}

@Article{2008-Zhao-YZ,
	Author = "Dan Zhao and Daqiang Yuan and {Hong-Cai} Zhou",
	Title = "{The current status of hydrogen storage in metal-organic frameworks}",
	Journal = "Energy Environ. Sci.",
	Volume = "1",
	Number = "2",
	Pages = "222–235",
	collection = "hydrogen sorption",
	year = 2008
}

@Article{2009-Acevedo-Jorgensen,
	Author = "Orlando Acevedo and William L. Jorgensen",
	Title = "{Advances in Quantum and Molecular Mechanical {(QM/MM)} Simulations for Organic and Enzymatic Reactions}",
	Journal = "Acc. Chem. Res.",
	Volume = "43",
	Number = "1",
	Pages = "142–151",
	collection = "quantum chemistry",
	doi = "10.1021/ar900171c",
	year = 2009
}

@Article{2009-Addicoat-Collins,
	Author = "Matthew A. Addicoat and Michael A. Collins",
	Title = "{Accurate treatment of nonbonded interactions within systematic molecular fragmentation}",
	Journal = "J. Chem. Phys.",
	Volume = "131",
	Pages = "104103",
	collection = "molecular fragmentation",
	doi = "10.1063/1.3222639",
	year = 2009
}

@Article{2009-Akcora-LKMLBSAPPGITCD,
	Author = "Pinar Akcora and Hongjun Liu and Sanat K. Kumar and Joseph Moll and Yu Li and Brian C. Benicewicz and Linda S. Schadler and Devrim Acehan and Athanassios Z. Panagiotopoulos and Victor Pryamitsyn and Venkat Ganesan and Jan Ilavsky and Pappanan Thiyagarajan and Ralph H. Colby and Jack F. Douglas",
	Title = "{Anisotropic self-assembly of spherical polymer-grafted nanoparticles}",
	Journal = "Nature Mat.",
	Volume = "8",
	Pages = "354–359",
	collection = "polymer nanocomposites",
	doi = "10.1038/NMAT2404",
	keywords = "self-assembly; nanoparticle grafts; nanospheres; polymer nanocomposites",
	year = 2009
}

@Article{2009-Arkhipov-RWS,
	Author = "Anton S. Arkhipov and Wouter H. Roos and Gijs J. L. Wuite and Klaus Schulten",
	Title = "{Elucidating the mechanism behind irreversible deformation of viral capsids}",
	Journal = "Biophys. J.",
	Volume = "97",
	Pages = "2061–2069",
	collection = "viruses",
	doi = "10.1016/j.bpj.2009.07.039",
	year = 2009
}

@Article{2009-Asturiol-DS,
	Author = "David Asturiol and Miquel Duran and Pedro Salvador",
	Title = "{Intramolecular Basis Set Superposition Error Effects on the Planarity of DNA and RNA Nucleobases}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "5",
	Pages = "2574–2581",
	collection = "basis set superposition",
	doi = "10.1021/ct900056u",
	year = 2009
}

@Article{2009-Balabin-L,
	Author = "Roman M. Balabin and Ekaterina I. Lomakina",
	Title = "{Neural network approach to quantum-chemistry data: accurate prediction of density function theory energies}",
	Journal = "J. Chem. Phys.",
	Volume = "131",
	Pages = "074104",
	collection = "quantum chemistry",
	doi = "10.1063/1.3206326",
	keywords = "neural network; density functional theory",
	rating = "2",
	read = "2015-02-05",
	year = 2009
}

@Article{2009-Banas-JWSO,
	Author = "Pavel Banas and Petr Jurečka and Nils G. Walter and Jiří Šponer and Michal Otyepka",
	Title = "{Theoretical studies of RNA catalysis: hybrid QM/MM methods and their comparison with MD and QM}",
	Journal = "Methods",
	Volume = "49",
	Pages = "202–216",
	collection = "molecular catalysis",
	doi = "10.1016/j.ymeth.2009.04.007",
	year = 2009
}

@Article{2009-Bernal-Uruchurtu-HJ,
	Author = "Margarita I. {Bernal-Uruchurtu} and Ramón {Hernández-Lamoneda} and Kenneth C. Janda",
	Title = "{On the unusual properties of halogen bonds: a detailed ab Initio study of {X2−(H2O)1−5} clusters {(X} = Cl and Br)}",
	Journal = "J. Phys. Chem. A",
	Volume = "113",
	Number = "19",
	Pages = "5496–5505",
	collection = "halogen bonding",
	doi = "10.1021/jp900490p",
	shorttitle = "On the Unusual Properties of Halogen Bonds",
	year = 2009
}

@Article{2009-Biver-VJJS,
	Author = "Tarita Biver and Marcella Venturini and Elizabeth A. {Jares-Erijman} and Thomas M. Jovin and Fernando Secco",
	Title = "{{7-Aminoactinomycin} Binding to {DNA} Sequences Lacking {GpC} Sites: A Thermodynamic and Kinetic Study}",
	Journal = "Biochemistry",
	Volume = "48",
	Number = "1",
	Pages = "173–179",
	collection = "nucleic acid intercalation",
	doi = "10.1021/bi801671c",
	year = 2009
}

@Article{2009-Blum-Reymond,
	Author = "Lorenz C. Blum and {Jean-Louis} Reymond",
	Title = "{970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database {GDB-13}}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "131",
	Number = "25",
	Pages = "8732–8733",
	collection = "cheminformatics",
	doi = "10.1021/ja902302h",
	keywords = "big data; drug discovery",
	year = 2009
}

@Article{2009-Brown,
	Author = "Ian D. Brown",
	Title = "{Recent developments in the methods and applications of the bond valence model}",
	Journal = "Chem. Rev.",
	Volume = "109",
	Pages = "6858–6919",
	collection = "crystallography",
	doi = "10.1021/cr900053k",
	keywords = "bond valence",
	rating = "3",
	read = "2014-02-10",
	year = 2009
}

@Article{2009-Bushmarinov-LA,
	Author = "I. S. Bushmarinov and Konstantin A Lyssenko and Mikhail Yu Antipin",
	Title = "{Atomic energy in the {'Atoms} in Molecules' theory and its use for solving chemical problems}",
	Journal = "Russian Chem. Rev.",
	Volume = "78",
	Number = "4",
	Pages = "283–302",
	collection = "molecular fragmentation",
	doi = "10.1070/RC2009v078n04ABEH004017",
	year = 2009
}

@Article{2009-Ceniceros-FM,
	Author = "Hector D. Ceniceros and Glenn H. Fredrickson and George O. Mohler",
	Title = "{Coupled flow-polymer dynamics via statistical field theory: modeling and computation}",
	Journal = "J. Comp. Phys.",
	Volume = "228",
	Pages = "1624–1638",
	collection = "polymers",
	doi = "10.1016/j.jcp.2008.11.009",
	year = 2009
}

@Article{2009-Chen-Ruckenstein,
	Author = "Houyang Chen and Eli Ruckenstein",
	Title = "{Nanoparticle aggregation in the presence of a block copolymer}",
	Journal = "J. Chem. Phys.",
	Volume = "131",
	Pages = "244904",
	Note = "Advocates critical values for NP-NP and NP-BCP interactions for NP aggregation.",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.3280064",
	keywords = "block copolymers; nanoparticle aggregation; nanospheres; polymer nanocomposites",
	methods = "DPD",
	year = 2009
}

@Article{2009-Churchill-NRW,
	Author = "Cassandra D. M. Churchill and Lex Navarro-Whyte and Lesley R. Rutledge and Stacey D. Wetmore",
	Title = "{Effects of the biological backbone on DNA-protein stacking interactions}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "11",
	Pages = "10657–10670",
	collection = "stacking",
	year = 2009
}

@Article{2009-Churchill-Wetmore,
	Author = "Cassandra D. M. Churchill and Stacey D. Wetmore",
	Title = "{Noncovalent interactions involving histidine: the effect of charge on pi-pi stacking and T-shaped interactions with the DNA nucleobases}",
	Journal = "J. Phys. Chem. B",
	Volume = "113",
	Pages = "16046–16058",
	collection = "nucleic acid bases",
	doi = "10.1021/jp907887y",
	year = 2009
}

@Article{2009-Cock-ACCCDFHKWH,
	Author = "Peter J. A. Cock and Tiago Antao and Jeffrey T. Chang and Brad A. Chapman and Cymon J. Cox and Andrew Dalke and Iddo Friedberg and Thomas Hamelryck and Frank Kauff and Bartek Wilczyński and {Michiel J. L. de} Hoon",
	Title = "{Biopython: freely available Python tools for computational molecular biology and bioinformatics}",
	Journal = "Bioinformatics",
	Volume = "25",
	Number = "11",
	Pages = "1422–1423",
	collection = "cheminformatics",
	doi = "10.1093/bioinformatics",
	eprint = "http://bioinformatics.oxfordjournals.org/cgi/reprint/25/11/1422.pdf",
	year = 2009
}

@Article{2009-Cysewski,
	Author = "Piotr Cysewski",
	Title = "{Intra-strand stacking interactions in {B-DNA} crystals characterized by {post-SCF} quantum chemistry computations}",
	Journal = "New J. Chem.",
	Volume = "33",
	Number = "9",
	Pages = "1909–1917",
	collection = "stacking",
	doi = "10.1039/b909327c",
	keywords = "aromatic stacking",
	methods = "MP2/aug-cc-pvDZ",
	year = 2009
}

@Article{2009-Czyznikowska,
	Author = "Żaneta Czyżnikowska",
	Title = "{On the importance of electrostatics in stabilization of stacked guanine–adenine complexes appearing in {B-DNA} crystals}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "895",
	Number = "1-3",
	Pages = "161–167",
	collection = "stacking",
	doi = "10.1016/j.theochem.2008.10.040",
	year = 2009
}

@Article{2009-Czyznikowska-1,
	Author = "Żaneta Czyżnikowska",
	Title = "{How does modification of adenine by hydroxyl radical influence the stability and the nature of stacking interactions in adenine-cytosine complex?}",
	Journal = "J. Mol. Model.",
	Volume = "15",
	Number = "6",
	Pages = "615–622",
	collection = "stacking",
	doi = "10.1007/s00894-008-0447-0",
	year = 2009
}

@Article{2009-Czyznikowska-LGZC,
	Author = "Żaneta Czyżnikowska and Paweł Lipkowski and Robert W. Góra and Robert Zaleśny and A. C. Cheng",
	Title = "{On the Nature of Intermolecular Interactions in Nucleic Acid {Base−Amino} Acid {Side-Chain} Complexes}",
	Journal = "J. Phys. Chem. B",
	Volume = "113",
	Number = "33",
	Pages = "11511–11520",
	collection = "nucleic acid bases",
	doi = "10.1021/jp904146m",
	year = 2009
}

@Article{2009-Czyznikowska-Zalesny,
	Author = "Żaneta Czyżnikowska and Robert Zaleśny",
	Title = "{Theoretical insights into the nature of intermolecular interactions in cytosine dimer}",
	Journal = "Biophys. Chem.",
	Volume = "139",
	Number = "2-3",
	Pages = "137–143",
	collection = "stacking",
	doi = "10.1016/j.bpc.2008.11.001",
	year = 2009
}

@Article{2009-Daoulas-CSM,
	Author = "Kostas Ch. Daoulas and Anna Cavallo and Roy Shenhar and Marcus Müller",
	Title = "{Phase behaviour of quasi-block copolymers: a DFT-based Monte Carlo study}",
	Journal = "Soft Matter",
	Volume = "5",
	Pages = "4499–4509",
	collection = "block copolymers",
	doi = "10.1039/b911364a",
	keywords = "block copolymers; mesophase transitions; nanogrowth; polymer blends",
	methods = "MC with mean fields",
	year = 2009
}

@Article{2009-Day-CCHABTVVJGDTEFBFHNLKPMKWSASSWS,
	Author = "Graeme M. Day and Timothy G. Cooper and Aurora J. {Cruz-Cabeza} and Katarzyna E. Hejczyk and Herman L. Ammon and Stephan X. M. Boerrigter and Jeffrey S. Tan and Raffaele G. Della Valle and Elisabetta Venuti and Jovan Jose and Shridhar R. Gadre and Gautam R. Desiraju and Tejender S. Thakur and {Bouke P. van} Eijck and Julio C. Facelli and Victor E. Bazterra and Marta B. Ferraro and Detlef W. M. Hofmann and Marcus A. Neumann and Frank J. J. Leusen and John Kendrick and Sarah L. Price and Alston J. Misquitta and Panagiotis G. Karamertzanis and Gareth W. A. Welch and Harold A. Scheraga and Yelena A. Arnautova and Martin U. Schmidt and {Jacco van de} Streek and Alexandra K. Wolf and Bernd Schweizer",
	Title = "{Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test}",
	Journal = "Acta Cryst. B",
	Volume = "65",
	Number = "2",
	Pages = "107–125",
	collection = "molecular crystals",
	doi = "10.1107/S0108768109004066",
	year = 2009
}

@Article{2009-Dessailly-NJFKLFGRO,
	Author = "Benoir Dessailly and Rajesh Nair and Lukasz Jaroszewski and Eduardo Fajardo and Andrei Kouranov and David Lee and Andras Fiser and Adam Godzik and Burkhard Rost and Christine Orengo",
	Title = "{PSI-2: structural genomics to cover protein domain family space}",
	Journal = "Structure",
	Volume = "17",
	Pages = "869–881",
	collection = "genomics",
	doi = "10.1016/j.str.2009.03.015",
	keywords = "structural genomics",
	read = "2013-08-20",
	year = 2009
}

@Article{2009-Ebrahimi-HNG,
	Author = "Ali Ebrahimi and Mostafa Habibi and Razieh Sadat Neyband and Ali Reza Gholipour",
	Title = "{Cooperativity of π-stacking and hydrogen bonding interactions and substituent effects on X-ben||pyr...H–F complexes}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "11",
	Pages = "11424–11431",
	collection = "stacking",
	doi = "10.1039/b912419e",
	year = 2009
}

@Article{2009-ElSohly-HCT,
	Author = "Adel M. {ElSohly} and Brian W. Hopkins and Kari L. Copeland and Gregory S. Tschumper",
	Title = "{Anchoring the potential energy surface of the diacetylene dimer}",
	Journal = "Mol. Phys.",
	Volume = "108",
	Number = "8-12",
	Pages = "923–928",
	collection = "stacking",
	doi = "10.1080/00268970802695404",
	year = 2009
}

@Article{2009-Gil-BBO,
	Author = "Adria Gil and Vicenc Branchadell and Joan Bertran and Antoni Oliva",
	Title = "{An Analysis of the Different Behavior of {DNA} and {RNA} through the Study of the Mutual Relationship between Stacking and Hydrogen Bonding}",
	Journal = "J. Phys. Chem. B",
	Volume = "113",
	Number = "14",
	Pages = "4907–4914",
	collection = "nucleic acid bases",
	doi = "10.1021/jp809737c",
	year = 2009
}

@Article{2009-Gordon-MPRSB,
	Author = "Mark S. Gordon and Jonathan M. Mullin and Spencer R. Pruit and Luke B. Roskop and Lyudmila V. Slipchenko and Jerry A. Boatz",
	Title = "{Accurate methods for large molecular systems}",
	Journal = "J. Phys. Chem. B",
	Volume = "113",
	Pages = "8646–9663",
	collection = "molecular fragmentation",
	doi = "10.1021/jp811519x",
	methods = "EFP2, FMO, SFM",
	rating = "3",
	read = "2012-08-06",
	type = "Review",
	year = 2009
}

@Article{2009-Gu-WLXS,
	Author = "Jiande D. Gu and Jing Wang and Jerzy Leszczyński and Yaoming Xie and {Henry F. III} Schaefer",
	Title = "{Reply to 'Comment on 'To stack or not to stack: Performance of a new density functional for the uracil and thymine dimers' [Chem. Phys. Lett. 459 (2008) 164]'}",
	Journal = "Chem. Phys. Lett.",
	Volume = "473",
	Pages = "209–210",
	collection = "basis set superposition",
	doi = "10.1016/j.cplett.2009.03.055",
	year = 2009
}

@Article{2009-Halevy-NP,
	Author = "Alon Halevy and Peter Norvig and Fernando Pereira",
	Title = "{The unreasonable effectiveness of data}",
	Journal = "IEEE Intelligent Systems",
	Volume = "24",
	Pages = "8–12",
	Note = "Page 12: Choose a representation that can use unsupervised learning on unlabeled data, which is so much more plentiful than labeled data.",
	collection = "philosphy",
	doi = "10.1109/MIS.2009.36",
	rating = "2",
	read = "2013-11-12",
	year = 2009
}

@Article{2009-Hall-LB,
	Author = "David M. Hall and Turab Lookman and Sanjoy Banerjee",
	Title = "{Non-equilibrium particle-field simulations of polymer-nanocomposite dynamics}",
	Journal = "Chem. Eng. Sci.",
	Volume = "64",
	Pages = "4754–4757",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.ces.2009.07.031",
	keywords = "block copolymers; hydrodynamics; nanorods; nanospheres; nanotriangles; polymer blends; polymer nanocomposites; rheology",
	methods = "HSCFT",
	rating = "2",
	year = 2009
}

@Article{2009-Han-MI,
	Author = "Sang Soo Han and Jose L. {Mendoza-Cortes} and William {A. III} Goddard",
	Title = "{Recent advances on simulation and theory of hydrogen storage in metal-organic frameworks and covalent organic frameworks}",
	Journal = "Chem. Soc. Rev.",
	Volume = "38",
	Number = "5",
	Pages = "1460–1476",
	collection = "hydrogen sorption",
	doi = "10.1039/b802430h",
	year = 2009
}

@Article{2009-He-ZCL,
	Author = "Linli He and Linxi Zhang and Hongping Chen and Haojun Liang",
	Title = "{The phase behaviors of cylindrical diblock copolymers and rigid nanorods' mixtures}",
	Journal = "Polymer",
	Volume = "50",
	Pages = "3403–3410",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.polymer.2009.04.068",
	keywords = "block copolymers; mesophase transitions; nanorods; polymer nanocomposites",
	methods = "DPD",
	year = 2009
}

@Article{2009-He-ZXL,
	Author = "Linli He and Linxi Zhang and Agen Xia and Haojun Liang",
	Title = "{Effect of nanorods on the mesophase structure of diblock copolymers}",
	Journal = "J. Chem. Phys.",
	Volume = "130",
	Pages = "144907",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.3089713",
	keywords = "block copolymers; mesophase transitions; nanorods; polymer nanocomposites",
	methods = "DPD",
	year = 2009
}

@Article{2009-Hill-Platts,
	Author = "J. Grant Hill and James A. Platts",
	Title = "{Local electron correlation descriptions of the intermolecular stacking interactiosn between aromatic intercalators and nucleic acids}",
	Journal = "Chem. Phys. Lett.",
	Volume = "479",
	Pages = "279–283",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.cplett.2009.08.021",
	year = 2009
}

@Article{2009-Hirata,
	Author = "So Hirata",
	Title = "{Quantum chemistry of macromolecules and solids}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "11",
	Number = "38",
	Pages = "8397–8412",
	collection = "quantum chemistry",
	doi = "10.1039/b905812p",
	year = 2009
}

@Article{2009-Horowitz-LHGH,
	Author = "Eric D. Horowitz and Seth Lilavivat and Benjamin W. Holladay and Markus W. Germann and Nicholas V. Hud",
	Title = "{Solution Structure and Thermodynamics of 2′,5′ {RNA} Intercalation}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "131",
	Number = "16",
	Pages = "5831–5838",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ja810068e",
	year = 2009
}

@Article{2009-Iacovella-Glotzer,
	Author = "Christopher R. Iacovella and Sharon C. Glotzer",
	Title = "{Phase behavior of ditethered nanospheres}",
	Journal = "Soft Matter",
	Volume = "5",
	Pages = "4492–4498",
	collection = "nanoparticles",
	doi = "10.1039/b909669h",
	keywords = "self-assembly; nanoparticle grafts; nanospheres",
	year = 2009
}

@Article{2009-Issa-KWP,
	Author = "Nizar Issa and Panagiotis G. Karamertzanis and Gareth W. A. Welch and Sarah L. Price",
	Title = "{Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? I. Comparison of Lattice Energies}",
	Journal = "Cryst. Growth Des.",
	Volume = "9",
	Number = "1",
	Pages = "442–453",
	collection = "molecular crystals",
	doi = "10.1021/cg800685z",
	shorttitle = "Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted?",
	year = 2009
}

@Article{2009-Jayaraman-Schweizer,
	Author = "Arthi Jayaraman and Kenneth S. Schweizer",
	Title = "{Effective interactions and self-assembly of hybrid polymer grafted nanoparticles in a homopolymer matrix}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "8423–8434",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma901631x",
	keywords = "self-assembly; nanoparticle grafts; nanospheres; polymer nanocomposites",
	year = 2009
}

@Article{2009-Jayaraman-Schweizer-1,
	Author = "Arthi Jayaraman and Kenneth S. Schweizer",
	Title = "{Liquid state theory of the structure and phase behaviour of polymer-tethered nanoparticles in dense suspensions, melts and nanocomposites}",
	Journal = "Mol. Simul.",
	Volume = "35",
	Number = "10-11",
	Pages = "835–848",
	collection = "polymer nanocomposites",
	doi = "10.1080/08927020902744680",
	keywords = "self-assembly; nanoparticle grafts; nanospheres; polymer nanocomposites",
	year = 2009
}

@Article{2009-Jin-WF,
	Author = "Jiezhu Jin and Jianzhong Wu and Amalie L. Frischknecht",
	Title = "{Modeling miscroscopic morphology and mechanical properties of block copolymer-nanoparticle composites}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "7537–7544",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma9006686",
	keywords = "block copolymers; mechanical properties; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "DFT",
	year = 2009
}

@Article{2009-Kalra-Joo,
	Author = "Vibha Kalra and Yong Lak Joo",
	Title = "{Coarse-grained molecular dynamics study of block copolymer/nanoparticle composites under elongational flow}",
	Journal = "J. Chem. Phys.",
	Volume = "131",
	Pages = "214904",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.3266511",
	keywords = "block copolymers; rheology; nanospheres; polymer nanocomposites",
	methods = "CG MD",
	year = 2009
}

@Article{2009-Kan,
	Author = "{Yu-He} Kan",
	Title = "{Covalent or not? Energy decomposition analysis of metal-metal bonding in {alkaline-Earth} dimetallocene complexes}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "894",
	Number = "1-3",
	Pages = "88–92",
	collection = "molecular interactions",
	doi = "10.1016/j.theochem.2008.10.004",
	shorttitle = "Covalent or not?",
	year = 2009
}

@Article{2009-Kandar-SBMSN,
	Author = "A. K. Kandar and S. Srivastava and J. K. Basu and M. K. Mukhopadhyay and S. Seifert and S. Narayanan",
	Title = "{Unusual dynamical arrest in polymer grafted nanoparticles}",
	Journal = "J. Chem. Phys.",
	Volume = "130",
	Pages = "121102",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.3090484",
	year = 2009
}

@Article{2009-Kashem-PDWMGMCRPM,
	Author = "Mottakin M. Abul Kashem and Jan Perlich and Alexander Diethert and Weinan Wang and Mine Memesa and Jochen S. Gutmann and Eva Majkova and Ignac Cápek and Stephan V. Roth and Winfried Petry and Peter Möller-Buschbaum",
	Title = "{Array of magnetic nanoparticles via particle co-operated self-assembly in block copolymer thin film}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "6202–6208",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma900942j",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "AFM, SEM, SAXS",
	rating = "2",
	read = "2012-03-21",
	systems = "magnetite@PS-PMMA",
	year = 2009
}

@Article{2009-Kenny,
	Author = "Peter W. Kenny",
	Title = "{Hydrogen bonding, electrostatic potential, and molecular design}",
	Journal = "J. Chem. Inf. Model.",
	Volume = "49",
	Pages = "1234–1244",
	collection = "hydrogen bonding",
	doi = "10.1021/ci9000234",
	year = 2009
}

@Article{2009-Khan-HABK,
	Author = "Jamil Khan and Shane E. Harton and Brian C. Benicewicz and Sanat K. Kumar",
	Title = "{Polymer crystallization in nanocomposites: spatial reorganization of nanoparticles}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "5741–5744",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma900794t",
	keywords = "nanospheres; polymer nanocomposites",
	year = 2009
}

@Article{2009-Khounlavong-Ganesan,
	Author = "Landry Khounlavong and Venkat Ganesan",
	Title = "{Influence of interfacial layers upon the barrier properties of polymer nanocomposites}",
	Journal = "J. Chem. Phys.",
	Volume = "130",
	Pages = "104901",
	collection = "polymer nanocomposites",
	keywords = "polymer nanocomposites",
	year = 2009
}

@Article{2009-Kim-FBHK,
	Author = "Bumjoon J. Kim and Glenn H. Fredrickson and Joona Bang and Craig J. Hawker and Edward J. Kramer",
	Title = "{Tailoring core-shell polymer-coated nanoparticles as block copolymer surfactants}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "6193–6201",
	Note = "Studies morphology of PS-b-P2VP conatining Ps-coated Au NPs (2.85nm diameter) as a function of NP selectivity by varying areal coating density.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma9009406",
	keywords = "block copolymers; mesophase transitions; nanoparticle distribution; nanoparticle grafts; nanospheres; polymer nanocomposites",
	methods = "TEM",
	systems = "Au-PS@PS-P2VP",
	year = 2009
}

@Article{2009-Kim-Matsen,
	Author = "Jaeup U. Kim and Mark W. Matsen",
	Title = "{Positioning Janus nanoparticles in block copolymer scaffolds}",
	Journal = "Phys. Rev. Lett.",
	Volume = "102",
	Number = "7",
	Pages = "078303",
	Note = "Identifies the formation of Janus particles from NPs with mixed coatings, as well as their distribution in a BCP lamellar phase.",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevLett.102.078303",
	keywords = "block copolymers; Janus particles; nanoparticle distribution; nanoparticle grafts; nanospheres",
	methods = "SCFT",
	systems = "NP-{nA,nB}@NANB, NP-r{A,B}@NANB",
	year = 2009
}

@Article{2009-Kim-ZYWLK,
	Author = "Chang Kon Kim and Hui Zhang and Sung Hoon Yoon and Jongok Won and Myung-Jin Lee and Chan Kyung Kim",
	Title = "{Effects of Basis Set Superposition Error on Optimized Geometries and Complexation Energies of Organo-Alkali Metal Cation Complexes}",
	Journal = "J. Phys. Chem. A",
	Volume = "113",
	Pages = "513–519",
	collection = "basis set superposition",
	doi = "10.1021/jp802918b",
	year = 2009
}

@Article{2009-Kostjukov-KE,
	Author = "Viktor V. Kostjukov and N. M. Khomytova and M. P. Evstigneev",
	Title = "{Partition of thermodynamic energies of {drug-DNA} complexation}",
	Journal = "Biopolymers",
	Volume = "91",
	Number = "9",
	Pages = "773–790",
	collection = "nucleic acid intercalation",
	doi = "10.1002/bip.21227",
	year = 2009
}

@Article{2009-Kostjukov-KSIDE,
	Author = "Viktor V. Kostjukov and N. M. Khomytova and A.A. Hernandez Santiago and R. Licona Ibarra and D. B. Davies and M.P. Evstigneev",
	Title = "{Calculation of the electrostatic charges and energies for intercalation of aromatic drug molecules with DNA}",
	Journal = "Int. J. Quant. Chem.",
	collection = "nucleic acid intercalation",
	doi = "10.1002/qua.22451",
	year = 2009
}

@Article{2009-Kruger-Reauscher,
	Author = "Matthias Kruger and Markus Rauscher",
	Title = "{Diffusion of a sphere in a dilute solution of polymer coils}",
	Journal = "J. Chem. Phys.",
	Volume = "131",
	Pages = "094902",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.3216108",
	year = 2009
}

@Article{2009-Kvamme-WC,
	Author = "Brandon Kvamme and Matthew C. F. Wander and Aurora E. Clark",
	Title = "{The role of basis set superposition error in water addition reactions to Ln(III) cations}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "109",
	Pages = "2474–2481",
	collection = "basis set superposition",
	doi = "10.1002/qua.22139",
	year = 2009
}

@Article{2009-Ladola-MSM,
	Author = "Alessio Lodola and Marco Mor and Jitnapa Sirirak and Adrian J. Mulholland",
	Title = "{Insight into the mechanism and inhibition of fatty acid amide hydrolase from quantum mechanics/molecular mechanics (QM/MM) modelling}",
	Journal = "Biochem. Soc. Trans.",
	Volume = "37",
	Pages = "363–367",
	collection = "enzymes",
	doi = "10.1042/BST0370363",
	year = 2009
}

@Article{2009-Li-CTLL,
	Author = "Shen Li and Valentino R. Cooper and Timo Thonhauser and Bengt I. Lundqvist and David C. Langreth",
	Title = "{Stacking Interactions and {DNA} Intercalation}",
	Journal = "J. Phys. Chem. B",
	Volume = "113",
	Number = "22",
	Pages = "11166–11172",
	collection = "nucleic acid intercalation",
	doi = "10.1021/jp905765c",
	year = 2009
}

@Article{2009-Listak-HRRPMAB,
	Author = "Jessica Listak and Ilhem F. Hakem and Hyung Ju Ryu and Sofia Rangou and Nikolaos Politakos and Konstantinos Misichronis and Apostolos Avgeropoulos and Michael R. Bockstaller",
	Title = "{Effect of chain architecture on the compatibility of block copolymer-nanoparticle blends}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "5766–5773",
	Note = "Aggregation of PS-grafted NPs in copolymers of various architectures.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma900600n",
	keywords = "block copolymers; nanospheres; polymer architecture; polymer nanocomposites",
	methods = "osmometry, SEC, NMR, TEM",
	systems = "Au-PS@PS-PI, Au-PS@PS-PI-PS, Au-PS@PI-PS-PI",
	year = 2009
}

@Article{2009-Liu-ZCW,
	Author = "Jun Liu and Liqun Zhang and Dapeng Cao and Wenchuan Wang",
	Title = "{Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "11",
	Pages = "11365–11384",
	collection = "polymer nanocomposites",
	doi = "10.1039/b913511a",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2009
}

@Article{2009-Lo-Chao,
	Author = "Chieh-Tsung Lo and Chun-Jung Chao",
	Title = "{Synthesis and characterization of magnetic nanoparticle-block copolymer composites}",
	Journal = "Langmuir",
	Volume = "25",
	Number = "22",
	Pages = "12865–12869",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/la9032833",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "TEM, XPS, XRD",
	rating = "2",
	read = "2012-03-21",
	systems = "magnetite@PS-P2VP",
	year = 2009
}

@Article{2009-Lu-SWYYLJZ,
	Author = "{Yun-Xiang} Lu and Ting Shi and Yong Wang and Huaiyu Yang and Xiuhua Yan and Xiaoming Luo and Hualiang Jiang and Weiliang Zhu",
	Title = "{Halogen bonding: a novel interaction for rational drug design?}",
	Journal = "J. Med. Chem.",
	Volume = "52",
	Number = "9",
	Pages = "2854–2862",
	collection = "halogen bonding",
	doi = "10.1021/jm9000133",
	year = 2009
}

@Article{2009-Lu-ZFZJY,
	Author = "{Yun-Xiang} Lu and {Jian-Wei} Zou and {Ji-Cai} Fan and {Wen-Na} Zhao and {Yong-Jun} Jiang and {Qing-Sen} Yu",
	Title = "{{Ab} initio calculations on halogen-bonded complexes and comparison with density functional methods}",
	Journal = "J. Comp. Chem.",
	Volume = "30",
	Number = "5",
	Pages = "725–732",
	collection = "halogen bonding",
	doi = "10.1002/jcc.21094",
	year = 2009
}

@Article{2009-Luzuriaga-GP,
	Author = "{Alaitz Ruiz de} Luzuriaga and Hans J. Grande and José A. Pomposo",
	Title = "{Phase diagrams in compressible weakly interacting all-polymer nanocomposites}",
	Journal = "J. Chem. Phys.",
	Volume = "130",
	Pages = "084905",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.3078248",
	keywords = "polymer blends; polymer nanocomposites",
	year = 2009
}

@Article{2009-Mahapatra,
	Author = "Anirban Mahapatra",
	Title = "{Chemistry or biology? The debate continues...}",
	Journal = "ACS Chem. Biol.",
	Volume = "4",
	Number = "12",
	Pages = "969–970",
	collection = "philosophy",
	doi = "10.1021/cb9003095",
	year = 2009
}

@Article{2009-Makowski-KGA,
	Author = "Marcin Makowski and Jacek Korchowiec and Feng Long Gu and Yuriko Aoki",
	Title = "{Describing electron correlation effects in the framework of the elongation method - elongation-MP2: formalism, implementation and efficiency}",
	Journal = "J. Comp. Chem.",
	collection = "quantum chemistry",
	doi = "10.1002/jcc.21462",
	year = 2009
}

@Article{2009-Martens,
	Author = "Eric Martens",
	Title = "{A Nobel misses the mark?}",
	Journal = "ACS Chem. Biol.",
	Volume = "4",
	Number = "11",
	Pages = "885",
	collection = "philosophy",
	doi = "10.1021/cb900281p",
	year = 2009
}

@Article{2009-Mermin,
	Author = "N. David Mermin",
	Title = "{What's bat about this habit}",
	Journal = "Physics Today",
	Volume = "62",
	Number = "5",
	Pages = "8–9",
	collection = "philosophy",
	year = 2009
}

@Article{2009-Mermin-1,
	Author = "N. David Mermin and Phillip Pearle and Sabine Hossenfelder and Alexey Burov and Joseph Isler and Fletcher J. Goldin and Mark Alford and Amin Dharamsi and Leonardo Colletti and Rodney Brooks and Fred Kuttner and Bruce Rosenblum and Derek Walton and Michael Nauenberg",
	Title = "{Mermin habitually answers opinions, real and abstract}",
	Journal = "Physics Today",
	Volume = "62",
	Number = "9",
	Pages = "10–15",
	collection = "philosophy",
	doi = "10.1063/1.3226701",
	year = 2009
}

@Article{2009-Mezzenga-Roukolainen,
	Author = "Raffaele Mezzenga and Janne Ruokolainen",
	Title = "{Nanoparticles in the right place}",
	Journal = "Nature Mat.",
	Volume = "8",
	Pages = "926–928",
	collection = "block copolymer nanocomposites",
	keywords = "block copolymers; hydrogen bonding; nanomigration; nanoparticle distribution; nanopinning; nanospheres; polymer nanocomposites; surfactants",
	type = "Editorial",
	year = 2009
}

@Article{2009-Milano-Kawakatsu,
	Author = "Giuseppe Milano and Toshihiro Kawakatsu",
	Title = "{Hybrid particle-field molecular dynamics simulations for dense polymer systems}",
	Journal = "J. Chem. Phys.",
	Volume = "130",
	Pages = "214106",
	collection = "block copolymers",
	doi = "10.1063/1.3142103",
	keywords = "block copolymers; coarse graining",
	methods = "MD with mean field interactions",
	rating = "2",
	year = 2009
}

@Article{2009-Mistark-PYLYTRA,
	Author = "Peter A. Mistark and Soojin Park and Sibel Ebru Yalcin and Dong Hyun Lee and Ozgur Yavuzcetin and Mark T. Tuominen and Thomas P. Russell and Marc Achermann",
	Title = "{Block-copolymer-based plasmonic nanostructures}",
	Journal = "ACS Nano",
	Volume = "3",
	Number = "12",
	Pages = "3987–3992",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nn901245w",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "SFM",
	rating = "2",
	read = "2012-03-21",
	systems = "Au@PS-P4VP, Au@PS-PEO",
	year = 2009
}

@Article{2009-Mitoraj-MZ,
	Author = "Mariusz P. Mitoraj and Artur Michalak and Tom Ziegler",
	Title = "{A Combined Charge and Energy Decomposition Scheme for Bond Analysis}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "5",
	Number = "4",
	Pages = "962–975",
	collection = "molecular fragmentation",
	doi = "10.1021/ct800503d",
	year = 2009
}

@Article{2009-Molnar-HWM,
	Author = "Laszlo {Fusti Molnar} and Xiao He and Bing Wang and Kenneth M. Jr. Merz",
	Title = "{Further analysis and comparative study of intermolecular interactions using dimers from the S22 database}",
	Journal = "J. Chem. Phys.",
	Volume = "131",
	Pages = "065102",
	collection = "molecular interactions",
	doi = "10.1063/1.3173809",
	year = 2009
}

@Article{2009-Monticelli-SKV,
	Author = "Luca Monticelli and Emppu Salonen and Pu Chun Ke and Ilpo Vattulainen",
	Title = "{Effects of carbon nanoparticles on lipid membranes: a molecular simulation perspective}",
	Journal = "Soft Matter",
	Volume = "5",
	Pages = "4433–4445",
	collection = "lipid bilayers",
	keywords = "biological nanocomposites; fullerenes; lipid bilayers",
	type = "Review",
	year = 2009
}

@Article{2009-Morgado-JSHS,
	Author = "C. A. Morgado and Petr Jurečka and Daniel Svozil and Pavel Hobza and Jiří Šponer",
	Title = "{Balance of Attraction and Repulsion in {Nucleic-Acid} Base Stacking: {CCSD(T)/Complete-Basis-Set-Limit} Calculations on Uracil Dimer and a Comparison with the {Force-Field} Description}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "5",
	Number = "6",
	Pages = "1524–1544",
	collection = "stacking",
	doi = "10.1021/ct9000125",
	shorttitle = "Balance of Attraction and Repulsion in {Nucleic-Acid} Base Stacking",
	year = 2009
}

@Article{2009-Mourik,
	Author = "{Tanja van} Mourik",
	Title = "{Comment on 'To stack or not to stack: Performance of a new density functional for the uracil and thymine dimers' [Chem. Phys. Lett. 459 (2008) 164]}",
	Journal = "Chem. Phys. Lett.",
	Volume = "473",
	Pages = "206–208",
	collection = "basis set superposition",
	doi = "10.1016/j.cplett.2009.03.050",
	year = 2009
}

@Article{2009-Murtola-BVDK,
	Author = "Teemu Murtola and Alex Bunker and Ilpo Vattulainen and Markus Deserno and Mikko Karttunen",
	Title = "{Multiscale modeling of emergent materials: biological and soft matter}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "11",
	Pages = "1869–1892",
	collection = "coarse graining",
	doi = "10.1039/b818051b",
	keywords = "coarse graining",
	type = "Perspective",
	year = 2009
}

@Article{2009-Nasertayoob-Shahbazian,
	Author = "Payam Nasertayoob and Shant Shahbazian",
	Title = "{Revisiting the foundations of the quantum theory of atoms in molecules: Toward a rigorous definition of topological atoms}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "109",
	Number = "4",
	Pages = "726–732",
	collection = "molecular fragmentation",
	doi = "10.1002/qua.21864",
	shorttitle = "Revisiting the foundations of the quantum theory of atoms in molecules",
	year = 2009
}

@Article{2009-Neto-Lapis,
	Author = "Brenno A. D. Neto and Alexandre A. M. Lapis",
	Title = "{Recent Developments in the Chemistry of Deoxyribonucleic Acid {(DNA)} Intercalators: Principles, Design, Synthesis, Applications and Trends}",
	Journal = "Molecules",
	Volume = "14",
	Number = "5",
	Pages = "1725–1746",
	collection = "nucleic acid intercalation",
	doi = "10.3390/molecules14051725",
	shorttitle = "Recent Developments in the Chemistry of Deoxyribonucleic Acid {(DNA)} Intercalators",
	year = 2009
}

@Article{2009-Noguera-RRSOBS,
	Author = "M. Noguera and R. {Ríos-Font} and L. {Rodríguez-Santiago} and X. {Solans-Monfort} and A. Oliva and Joan Bertran and M. Sodupe",
	Title = "{Influence of π-stacking on the N7 and O6 proton affinity of guanine}",
	Journal = "Theor. Chem. Acc.",
	Volume = "123",
	Number = "1-2",
	Pages = "105–111",
	collection = "nucleic acid bases",
	doi = "10.1007/s00214-009-0542-z",
	year = 2009
}

@Article{2009-Nowicka-ZKMS,
	Author = "Anna M. Nowicka and Ewelina Zabost and Barbara Klim and Zofia Mazerska and Zbigniew Stojek",
	Title = "{Interactions of Dissolved {dsDNA} with Intercalating Drug by Anodic Voltammetry and Spectroscopy. Influence of {pH}}",
	Journal = "Electroanalysis",
	Volume = "21",
	Number = "1",
	Pages = "52–60",
	collection = "nucleic acid intercalation",
	doi = "10.1002/elan.200804464",
	year = 2009
}

@Article{2009-Oh-Green,
	Author = "Hyunjoon Oh and Peter F. Green",
	Title = "{Polymer chain dynamics and glass transition in athermal polymer/nanoparticle mixtures}",
	Journal = "Nature Mat.",
	Volume = "8",
	Pages = "139–143",
	collection = "polymer nanocomposites",
	doi = "10.1038/NMAT2354",
	keywords = "nanospheres; polymer nanocomposites",
	year = 2009
}

@Article{2009-Olszowka-HKSTB,
	Author = "Violetta Olszowka and Markus Hund and Volker Kuntermann and Sabine Scherdel and Larisa Tsarkova and Alexander Böker",
	Title = "{Electric field alignment of a block copolymer nanopattern: direct observation of the microscopic mechanism}",
	Journal = "ACS Nano",
	Volume = "3",
	Number = "5",
	Pages = "1091–1096",
	collection = "block copolymers",
	doi = "10.1021/nn900081u",
	year = 2009
}

@Article{2009-Park-Lu,
	Author = "Jonghyun Park and Wei Lu",
	Title = "{Interaction of nanoparticles with lipid bilayers}",
	Journal = "Phys. Rev. E",
	Volume = "80",
	Pages = "021607",
	collection = "lipid bilayers",
	doi = "10.1103/PhysRevE.80.021607",
	keywords = "biological nanocomposites; lipid bilayers; nanospheres",
	year = 2009
}

@Article{2009-Paton-Goodman,
	Author = "Robert S. Paton and Jonathan M. Goodman",
	Title = "{Hydrogen bonding and π-stacking: how reliable are force fields? A critical evaluation of force field descriptions of nonbonded interactions}",
	Journal = "J. Chem. Inf. Model.",
	Volume = "49",
	Pages = "944–955",
	collection = "molecular interactions",
	doi = "10.1021/ci900009f",
	year = 2009
}

@Article{2009-Perlovsky,
	Author = "Leonid Perlovsky",
	Title = "{Language and cognition}",
	Journal = "Neural Networks",
	Volume = "22",
	Pages = "247–257",
	collection = "neuroscience",
	doi = "10.1016/j.neunet.2009.03.007",
	keywords = "language; cognition",
	rating = "2",
	read = "2013-07-12",
	year = 2009
}

@Article{2009-Pinna-SZ,
	Author = "Marco Pinna and Ludwig Schreier and Andrei V. Zvelindovsky",
	Title = "{Mechanisms of electric-field-induced alignment of block copolymer lamellae}",
	Journal = "Soft Matter",
	Volume = "5",
	Pages = "970–973",
	collection = "block copolymers",
	doi = "10.1039/b814969k",
	keywords = "block copolymers; electric fields",
	year = 2009
}

@Article{2009-Pitonak-JNPH,
	Author = "Michal Pitoňák and Tomasz Janowski and P. Neogrády and Peter Pulay and Pavel Hobza",
	Title = "{Convergence of the {CCSD(T)} Correction Term for the Stacked Complex Methyl {Adenine−Methyl} Thymine: Comparison with {Lower-Cost} Alternatives}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "5",
	Number = "7",
	Pages = "1761–1766",
	collection = "stacking",
	doi = "10.1021/ct900126q",
	shorttitle = "Convergence of the {CCSD(T)} Correction Term for the Stacked Complex Methyl {Adenine−Methyl} Thymine",
	year = 2009
}

@Article{2009-Plattner-Meuwly,
	Author = "Nuria Plattner and Markus Meuwly",
	Title = "{Higher order multipole moments for molecular dynamics simulations}",
	Journal = "J. Mol. Model.",
	Volume = "15",
	Number = "6",
	Pages = "687–694",
	collection = "molecular electrostatics",
	doi = "10.1007/s00894-009-0465-6",
	year = 2009
}

@Article{2009-Podeszwa-RS,
	Author = "Rafał Podeszwa and Betsy M. Rice and Krzysztof Szalewicz",
	Title = "{Crystal structure prediction for cyclotrimethylene trinitramine {(RDX)} from first principles}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "11",
	Number = "26",
	Pages = "5512–5518",
	collection = "molecular crystals",
	doi = "10.1039/b902015b",
	year = 2009
}

@Article{2009-Price,
	Author = "Sarah L. Price",
	Title = "{Computed Crystal Energy Landscapes for Understanding and Predicting Organic Crystal Structures and Polymorphism}",
	Journal = "Acc. Chem. Res.",
	Volume = "42",
	Number = "1",
	Pages = "117–126",
	collection = "molecular crystals",
	doi = "10.1021/ar800147t",
	year = 2009
}

@Article{2009-Ricci-Netz,
	Author = "Clarisse G. Ricci and Paulo A. Netz",
	Title = "{Docking Studies on {DNA-Ligand} Interactions: Building and Application of a Protocol To Identify the Binding Mode}",
	Journal = "J. Chem. Inf. Model.",
	Volume = "49",
	Pages = "1925–1935",
	collection = "nucleic acid intercalation",
	doi = "10.1021/ci9001537",
	shorttitle = "Docking Studies on {DNA-Ligand} Interactions",
	year = 2009
}

@Article{2009-Riley-MPCH,
	Author = "Kevin E. Riley and Jane S. Murray and Peter Politzer and Monica C. Concha and Pavel Hobza",
	Title = "{{Br···O} Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "5",
	Number = "1",
	Pages = "155–163",
	collection = "halogen bonding",
	doi = "10.1021/ct8004134",
	shorttitle = "{Br···O} Complexes as Probes of Factors Affecting Halogen Bonding",
	year = 2009
}

@Article{2009-Rocha,
	Author = "M.S. Rocha",
	Title = "{Modeling the entropic structural transition of DNA complexes formed with intercalating drugs}",
	Journal = "Phys. Biol.",
	Volume = "6",
	Pages = "036013",
	collection = "nucleic acid intercalation",
	doi = "10.1088/1478-3975",
	keywords = "nucleic acid intercalation",
	year = 2009
}

@Article{2009-Rodriguez-BAMGB,
	Author = "Juan I. Rodriguez and Richard F. W. Bader and Paul W. Ayers and Carine Michel and Andreas W. Götz and Carles Bo",
	Title = "{A high performance grid-based algorithm for computing {QTAIM} properties}",
	Journal = "Chem. Phys. Lett.",
	Volume = "472",
	Number = "1-3",
	Pages = "149–152",
	collection = "cheminformatics",
	doi = "10.1016/j.cplett.2009.02.081",
	keywords = "algorithms",
	methods = "QTAIM",
	year = 2009
}

@Article{2009-Ruiz-GRSB,
	Author = "Rebeca Ruiz and Begona Garcia and Guiseppe Ruisi and Arturo Silvestri and Giampaolo Barone",
	Title = "{Computational study of the interaction of proflavine with d(ATATATATAT)2 and d(GCGCGCGCGC)2}",
	Journal = "J. Mol. Struct.: {THEOCHEM}",
	Volume = "915",
	Pages = "86–92",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.theochem.2009.08.022",
	year = 2009
}

@Article{2009-Ruscio-KBH,
	Author = "Jory Z. Ruscio and Jonathan E. Kohn and K. Aurelia Ball and Teresa Head-Gordon",
	Title = "{The influence of protein dynamics on the success of computational enzyme design}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "131",
	Pages = "14111–14115",
	collection = "enzymes",
	doi = "10.1021/ja905396s",
	year = 2009
}

@Article{2009-Rutledge-DW,
	Author = "Lesley R. Rutledge and Holly F. Durst and Stacey D. Wetmore",
	Title = "{Evidence for Stabilization of {DNA/RNA−Protein} Complexes Arising from {Nucleobase−Amino} Acid Stacking and {T-Shaped} Interactions}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "5",
	Number = "5",
	Pages = "1400–1410",
	collection = "nucleic acid bases",
	doi = "10.1021/ct800567q",
	year = 2009
}

@Article{2009-Salvador-FD,
	Author = "Pedro Salvador and Xavier Fradera and Miquel Duran",
	Title = "{Quantitative Assessment of the Effect of Basis Set Superposition Error on the Electron Density of Molecular Complexes by Means of Quantum Molecular Similarity Measures}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "109",
	Pages = "2572–2580",
	collection = "basis set superposition",
	doi = "10.1002/qua.22039",
	year = 2009
}

@Article{2009-Schneider,
	Author = "Hans-Jörg Schneider",
	Title = "{Binding Mechanisms in Supramolecular Complexes}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "48",
	Number = "22",
	Pages = "3924–3977",
	collection = "molecular interactions",
	doi = "10.1002/anie.200802947",
	year = 2009
}

@Article{2009-Schwabe-Grimme,
	Author = "Tobias Schwabe and Stefan Grimme",
	Title = "{Benzenium-Ethene Complex: A Fundamental Problem for Standard Second-Order Møller–Plesset Theory}",
	Journal = "J. Phys. Chem. A",
	Volume = "113",
	Pages = "3005–3008",
	collection = "basis set superposition",
	doi = "10.1021/jp9003938",
	year = 2009
}

@Article{2009-Scocchi-PHFFP,
	Author = "Giulio Scocchi and Paola Posocco and Jan-Willem Handgraaf and Johannes G. E. M. Fraaije and Maurizio Fermeglia and Sabrina Pricl",
	Title = "{A complete multiscale modelling approach for polymer-clay nanocomposites}",
	Journal = "Chem. Eur. J.",
	Volume = "15",
	Pages = "7586–7592",
	collection = "polymer nanocomposites",
	doi = "10.1002/chem.200900995",
	keywords = "polymer nanocomposites",
	year = 2009
}

@Article{2009-Sherrill-TH,
	Author = "C. David Sherrill and Tait Takatani and Edward G. Hohenstein",
	Title = "{An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit {Coupled-Cluster} Potential Energy Curves for the Benzene Dimer, the Methane Dimer, {Benzene−Methane,} and {Benzene−H2S†}}",
	Journal = "J. Phys. Chem. A",
	Volume = "113",
	Number = "38",
	Pages = "10146–10159",
	collection = "molecular interactions",
	doi = "10.1021/jp9034375",
	shorttitle = "An Assessment of Theoretical Methods for Nonbonded Interactions",
	year = 2009
}

@Article{2009-Sillar-HS,
	Author = "Kaido Sillar and Alexander Hofmann and Joachim Sauer",
	Title = "{Ab Initio Study of Hydrogen Adsorption in {MOF-5}}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "131",
	Number = "11",
	Pages = "4143–4150",
	collection = "hydrogen sorption",
	doi = "10.1021/ja8099079",
	year = 2009
}

@Article{2009-Singh-MKK,
	Author = "N. Jiten Singh and Seung Kyu Min and Dong Young Kim and Kwang S. Kim",
	Title = "{Comprehensive energy analysis for various types of π-interaction}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "5",
	Pages = "515–529",
	collection = "stacking",
	doi = "10.1021/ct800471b",
	year = 2009
}

@Article{2009-Skwara-BS,
	Author = "Bartłomiej Skwara and Wojciech Bartkowiak and Daniel Luiz {Da Silva}",
	Title = "{On the basis set superposition error in supermolecular calculations of interaction-induced electric properties: many-body components}",
	Journal = "Theor. Chem. Acc.",
	Volume = "122",
	Pages = "127–136",
	collection = "basis set superposition",
	doi = "10.1007/s00214-008-0492-x",
	year = 2009
}

@Article{2009-Srivastava-KBMLNS,
	Author = "S. Srivastava and A. K. Kandar and J. K. Basu and M. K. Mukhopadhyay and L. B. Lurio and S. Narayanan and S. K. Sinha",
	Title = "{Complex dynamics in polymer nanocomposites}",
	Journal = "Phys. Rev. E",
	Volume = "79",
	Pages = "021408",
	collection = "polymer nanocomposites",
	doi = "10.1103/PhysRevE.79.021408",
	year = 2009
}

@Article{2009-Stone-Misquitta,
	Author = "Anthony J. Stone and Alston J. Misquitta",
	Title = "{Charge-transfer in symmetry-adapted perturbation theory}",
	Journal = "Chem. Phys. Lett.",
	Volume = "473",
	Pages = "201–205",
	collection = "molecular interactions",
	doi = "10.1016/j.cplett.2009.03.073",
	year = 2009
}

@Article{2009-Su-Li,
	Author = "Peifeng Su and Hui Li",
	Title = "{Energy decomposition analysis of covalent bonds and intermolecular interactions}",
	Journal = "J. Chem. Phys.",
	Volume = "131",
	Number = "1",
	Pages = "014102–15",
	collection = "molecular interactions",
	doi = "10.1063/1.3159673",
	year = 2009
}

@Article{2009-Sukumar,
	Author = "Nagamani Sukumar",
	Title = "{The chemist's concept of molecular structure}",
	Journal = "Found. Chem.",
	Volume = "11",
	Number = "1",
	Pages = "7–20",
	collection = "molecular structure",
	doi = "10.1007/s10698-008-9060-7",
	year = 2009
}

@Article{2009-Tang-Ma,
	Author = "Qi-yun Tang and Yu-quang Ma",
	Title = "{Self-assembly of rod-shaped particles in diblock-copolymer templates}",
	Journal = "J. Phys. Chem. B",
	Volume = "113",
	Pages = "10117–10120",
	Note = "Looks at the effect of nanorod shape on a BCP phase diagram.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/jp901170x",
	keywords = "block copolymers; mesophase transitions; nanorods; nanospheres; polymer nanocomposites",
	methods = "SCFT/BD",
	year = 2009
}

@Article{2009-Termonia,
	Author = "Yves Termonia",
	Title = "{Monte-Carlo modeling of dense polymer melts near nanoparticles}",
	Journal = "Polymer",
	Volume = "50",
	Pages = "1062–1066",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.polymer.2008.12.032",
	keywords = "polymer nanocomposites",
	year = 2009
}

@Article{2009-Toth-VHFFPP,
	Author = "Radovan Toth and Dirk-Jan Voorn and Jan-Willem Handgraaf and Johannes G. E. M. Fraaije and Maurizio Fermeglia and Sabrina Pricl and Paola Posocco",
	Title = "{Multiscale computer simulation studies of water-based montmorillonite-poly(ethylene oxide) nanocomposites}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "8260–8270",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma901584w",
	keywords = "polymer nanocomposites",
	year = 2009
}

@Article{2009-Wang-Hill,
	Author = "Mu Wang and Reghan J. Hill",
	Title = "{Anomalous bulk viscosity of polymer-nanocomposite melts}",
	Journal = "Soft Matter",
	Volume = "5",
	Pages = "3940–3953",
	collection = "polymer nanocomposites",
	doi = "10.1039/b905686f",
	year = 2009
}

@Article{2009-Wang-JZ,
	Author = "Weizhou Wang and Baoming Ji and Yu Zhang",
	Title = "{Chalcogen Bond: A Sister Noncovalent Bond to Halogen Bond}",
	Journal = "J. Phys. Chem. A",
	Volume = "113",
	Number = "28",
	Pages = "8132–8135",
	collection = "halogen bonding",
	doi = "10.1021/jp904128b",
	year = 2009
}

@Article{2009-Wang-Liebau,
	Author = "Xiqu Wang and Friedrich Liebau",
	Title = "{On the optimization of bond-valence parameters: artifacts conceal chemical effects}",
	Journal = "Acta Cryst. B",
	Volume = "65",
	Pages = "96–98",
	Note = "Page 96: If the large observed deviations between the values of BVS and the stoichiometric valence of the lone-pair cations are caused by incorrectly calculated bond valences for thier bonds, the corresponding deviations should also be seen in the VBS values of the anions bonded to them.",
	collection = "crystallography",
	doi = "10.1107/S010876810804086X",
	rating = "3",
	read = "2014-02-20",
	year = 2009
}

@Article{2009-Wang-XZYY,
	Author = "Juan Wang and Xiaowen Xu and Zhanxia Zhang and Fan Yang and Xiurong Yang",
	Title = "{{Real-Time} Study of Genomic {DNA} Structural Changes upon Interaction with Small Molecules Using {Dual-Polarization} Interferometry}",
	Journal = "Anal. Chem.",
	Volume = "81",
	Number = "12",
	Pages = "4914–4921",
	collection = "nucleic acid drugs",
	doi = "10.1021/ac900591k",
	year = 2009
}

@Article{2009-Wei-JZHL,
	Author = "Chunying Wei and Guoqing Jia and Jun Zhou and Gaoyi Han and Can Li",
	Title = "{Evidence for the binding mode of porphyrins to G-quadruplex {DNA}}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "11",
	Number = "20",
	Pages = "4025–4032",
	collection = "nucleic acid drugs",
	doi = "10.1039/b901027k",
	year = 2009
}

@Article{2009-Wu-AZ,
	Author = "Qin Wu and Paul W. Ayers and Yingkai Zhang",
	Title = "{Density-based energy decomposition analysis for intermolecular interactions with variationally determined intermediate state energies}",
	Journal = "J. Chem. Phys.",
	Volume = "131",
	Number = "16",
	Pages = "164112–8",
	collection = "molecular interactions",
	doi = "10.1063/1.3253797",
	year = 2009
}

@Article{2009-Xu-OLMKC,
	Author = "Chen Xu and Kohji Ohno and Vincent Ladmiral and Daniel E. Milkie and James M. Kikkawa and Russell J. Composto",
	Title = "{Simultaneous block copolymer and magnetic nanoparticle assembly in nanocomposite films}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "1219–1228",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma8022266",
	keywords = "block copolymers; mesophase transitions; nanoparticle aggregation; nanospheres; polymer nanocomposites; thin films",
	methods = "AFM, TEM, SQUID",
	systems = "magnetite-PMMA@PS-PMMA",
	year = 2009
}

@Article{2009-Yan-SB,
	Author = "Li-Tang Yan and Heiko G. Schoberth and Alexander Böker",
	Title = "{Large-scale oriented assembly of nanoparticles in diblock copolymer templates under electric fields}",
	Journal = "Macromol. Chem. Phys.",
	Volume = "210",
	Pages = "1003–1010",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/macp.200900040",
	keywords = "block copolymers; electric fields; polymer nanocomposites",
	methods = "CDS",
	read = "2012-03-21",
	year = 2009
}

@Article{2009-Yang-LTZ,
	Author = "Qinhua Yang and Ming Li and Chaohui Tong and Yuejin Zhu",
	Title = "{Phase behaviors of diblock copolymer-nanoparticle films under nanopore confinement}",
	Journal = "J. Chem. Phys.",
	Volume = "130",
	Pages = "094903",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.3055601",
	keywords = "block copolymers; mesophase transitions; nanoconfinement; nanospheres; polymer nanocomposites; thin films",
	methods = "SCFT/DFT",
	year = 2009
}

@Article{2009-Yoon-CS,
	Author = "Chang Won Yoon and Patrick J. Carroll and Larry G. Sneddon",
	Title = "{Ammonia Triborane: A New Synthesis, Structural Determinations, and Hydrolytic {Hydrogen-Release} Properties}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "131",
	Number = "2",
	Pages = "855–864",
	collection = "hydrogen sorption",
	doi = "10.1021/ja808045p",
	shorttitle = "Ammonia Triborane",
	year = 2009
}

@Article{2009-Zhang-Lin,
	Author = "Liangshun Zhang and Jiaping Lin",
	Title = "{Hierarchically ordered nanocomposites self-assembled from linear-alternating block copolymer-nanoparticle mixture}",
	Journal = "Macromolecules",
	Volume = "42",
	Pages = "1410–1414",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma802539q",
	keywords = "block copolymers; mesophase transitions; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SCFT/DFT",
	year = 2009
}

@Article{2009-Zhao-TMSLRMJWPFAX,
	Author = "Yue Zhao and Kari Thorkelsson and Alexander J. Mastroianni and Thomas Schilling and Joseph M. Luther and Benjamin J. Rancatore and Kazuyuki Matsunaga and Hiroshi Jinnai and Yue Wu and Daniel Poulsen and Jean M. J. Frechet and A. Pail Alivisatos and Ting Xu",
	Title = "{Small-molecule-directed nanoparticle assembly towards stimuli-responsive nanocomposites}",
	Journal = "Nature Mat.",
	Volume = "8",
	Pages = "979–985",
	collection = "block copolymer nanocomposites",
	doi = "10.1038/NMAT2565",
	keywords = "block copolymers; hydrogen bonding; nanomigration; nanoparticle distribution; nanopinning; nanospheres; polymer nanocomposites; surfactants; thin films",
	methods = "SAXS, TEM",
	systems = "CdS@PS-P4VP, Pb@PS-P4VP",
	year = 2009
}

@Article{2009-Zhou-CLS,
	Author = "Weizheng Zhou and Jian Cao and Weichang Liu and Simeon Stoyanov",
	Title = "{How rigid rods self-assemble at curved surfaces}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "48",
	Pages = "378–381",
	collection = "interfaces",
	doi = "10.1002/anie.200804194",
	keywords = "bubbles",
	methods = "SEM",
	rating = "3",
	read = "2010-12-10",
	year = 2009
}

@Article{2009-Zhou-Gilson,
	Author = "{Huan-Xiang} Zhou and Michael K. Gilson",
	Title = "{Theory of Free Energy and Entropy in Noncovalent Binding}",
	Journal = "Chem. Rev.",
	collection = "molecular interactions",
	doi = "10.1021/cr800551w",
	year = 2009
}

@Article{2009-Zoelen-Brinke,
	Author = "{Wendy van} Zoelen and Gerrit {ten Brinke}",
	Title = "{Thin films of complexed block copolymers}",
	Journal = "Soft Matter",
	Volume = "5",
	Pages = "1568–1582",
	collection = "block copolymers",
	doi = "10.1039/b817093b",
	keywords = "block copolymers; thin films",
	type = "Review",
	year = 2009
}

@Article{2010-Agarwal-QA,
	Author = "Praveen Agarwal and Haibo Qi and Lynden A. Archer",
	Title = "{The ages in a self-suspended nanoparticle liquid}",
	Journal = "Nano Lett.",
	Volume = "10",
	Pages = "111–115",
	collection = "nanoparticles",
	doi = "10.1021/nl9029847",
	keywords = "jamming; nanoparticle grafts; nanospheres; polymer mixtures; suspensions",
	methods = "TEM, TGA, rheometry",
	systems = "silica@PEG",
	year = 2010
}

@Article{2010-Akcora-KSBS,
	Author = "Pinar Akcora and Sanat K. Kumar and Victoria G. Sakai and Yu Li and Brian C. Benicewicz and Linda S. Schadler",
	Title = "{Segmental dynamics in PMMA-grafted nanoparticle composites}",
	Journal = "Macromolecules",
	Volume = "43",
	Pages = "8275–8281",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma101240j",
	year = 2010
}

@Article{2010-Anderson-ST,
	Author = "Joshua A. Anderson and Rastko Sknepnek and Alex Travesset",
	Title = "{Design of polymer nanocomposites in solution by polymer functionalization}",
	Journal = "Phys. Rev. E",
	Volume = "82",
	Pages = "021803",
	collection = "block copolymer nanocomposites",
	doi = "10.1103/PhysRevE.82.021803",
	keywords = "block copolymers; mesophase transitions; nanoparticle distribution; nanopinning; polymer nanocomposites",
	methods = "CG MD",
	year = 2010
}

@Article{2010-Balabin,
	Author = "Roman M. Balabin",
	Title = "{Communications: is quantum chemical treatment of biopolymers accurate? Intramolecular basis set superposition error (BSSE)}",
	Journal = "J. Chem. Phys.",
	Volume = "132",
	Pages = "231101",
	collection = "basis set superposition",
	doi = "10.1063/1.3442466",
	year = 2010
}

@Article{2010-Bockstaller-ROC,
	Author = "Michael R. Bockstaller and Hyung Ju Ryu and Satyajeet Ohja and Jihoon Choi",
	Title = "{1D periodic bimetallic superstructures by co-assembly of ternary block copolymer-nanoparticle blends}",
	Journal = "J. Mater. Chem.",
	Volume = "20",
	Pages = "9339–9341",
	Note = "Composite with two nanoparticle types of different size, going separately to the interface and tp domain centers.",
	collection = "block copolymer nanocomposites",
	doi = "10.1039/c0jm01810d",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SEM, STEM",
	rating = "2",
	read = "2012-03-21",
	systems = "(Au-dodecyl,Co-TOPO)@PS-PEP",
	year = 2010
}

@Article{2010-Bois-CDBDGPS,
	Author = "Laurence Bois and Fernand Chassegneux and Cédric Desroches and Yann Battie and Nathalie Destouches and Nicole Gilon and Stéphane Parola and Olivier Stéphan",
	Title = "{Electroless growth of silver nanoparticles into mesostructured silica block copolymer films}",
	Journal = "Langmuir",
	Volume = "26",
	Number = "11",
	Pages = "8729–8736",
	Note = "Shows how to form Ag NPs inside a BCP film, aggregating them into nanowires.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/la904491v",
	keywords = "block copolymers; nanogrowth; nanospheres; nanowires; polymer nanocomposites; thin films",
	methods = "absorbance spectroscopy, ICP-OES, powder XRD, TEM",
	systems = "Ag@PEO-PPO-PEO",
	year = 2010
}

@Article{2010-Chen-Ruckenstein,
	Author = "Houyang Chen and Eli Ruckenstein",
	Title = "{Structure and particle aggregation in block copolymer-binary nanoparticle composites}",
	Journal = "Polymer",
	Volume = "51",
	Pages = "5869–5882",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.polymer.2010.10.011",
	keywords = "block copolymers; nanoparticle aggregation; polymer nanocomposites",
	year = 2010
}

@Article{2010-Crossland-LHS,
	Author = "Edward J. W. Crossland and Sabine Ludwigs and Marc A. Hillmyer and Ulrich Steiner",
	Title = "{Control of gyroid forming block copolymer templates: effects of an electric field and surface topography}",
	Journal = "Soft Matter",
	Volume = "6",
	Pages = "670–676",
	collection = "block copolymers",
	doi = "10.1039/b914421h",
	keywords = "block copolymers; electric fields",
	year = 2010
}

@Article{2010-Dickinson,
	Author = "Eric Dickinson",
	Title = "{Food emulsions and foams: stabilization by particles}",
	Journal = "Curr. Op. Coll. Int. Sci.",
	Volume = "15",
	Pages = "40–49",
	collection = "interfaces",
	doi = "10.1016/j.cocis.2009.11.001",
	keywords = "emulsions; foams",
	read = "2010-06-12",
	year = 2010
}

@Article{2010-Frischknecht-MM,
	Author = "Amalie L. Frischknecht and Erin S. McGarrity and Michael E. Mackay",
	Title = "{Expanded chain dimensions in polymer melts with nanoparticle fillers}",
	Journal = "J. Chem. Phys.",
	Volume = "132",
	Pages = "204901",
	collection = "polymer nanocomposites",
	doi = "10.1063/1.3428760",
	keywords = "polymer nanocomposites",
	year = 2010
}

@Article{2010-Galatsis-WOOHCMCNB,
	Author = "Kosmas Galatsis and Kang L. Wang and Mihri Ozkan and Cengiz S. Ozkan and Yu Huang and Jane P. Chang and Harold G. Monbouquette and Yong Chen and Paul F. Nealey and Youssry Botros",
	Title = "{Patterning and templating for nanoelectronics}",
	Journal = "Adv. Mater.",
	Volume = "22",
	Pages = "769–778",
	collection = "nanotechnology",
	doi = "10.1002/adma.200901689",
	type = "Viewpoint",
	year = 2010
}

@Article{2010-Ganesan-EP,
	Author = "Venkat Ganesan and Christopher J. Ellison and Victor Pryamitsyn",
	Title = "{Mean-field models of structure and dispersion of polymer-nanoparticle mixtures}",
	Journal = "Soft Matter",
	Volume = "6",
	Pages = "4010–4025",
	collection = "polymer nanocomposites",
	doi = "10.1039/b926992d",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2010
}

@Article{2010-Ghosh-KVWHGSSK,
	Author = "Debashree Ghosh and Gmytro Kosenkov and Vitalii Vanovschi and Christopher F. Williams and John M. Herbert and Mark S. Gordon and Michael W. Schmidt and Lyudmila V. Slipchenko and Anna I. Krylov",
	Title = "{Noncovalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers}",
	Journal = "J. Phys. Chem. A",
	Volume = "114",
	Pages = "12739–12754",
	collection = "stacking",
	doi = "10.1021/jp107557p",
	year = 2010
}

@Article{2010-Goswami-Sumpter,
	Author = "Monojoy Goswami and Bobby G. Stumpter",
	Title = "{Anomalous chain diffusion in polymer nanocomposites for carying polymer-filler interactions strengths}",
	Journal = "Phys. Rev. E",
	Volume = "81",
	Pages = "041801",
	collection = "polymer nanocomposites",
	doi = "10.1103/PhysRevE.81.041801",
	keywords = "nanospheres; polymer nanocomposites",
	year = 2010
}

@Article{2010-Grafova-PRH,
	Author = "Lucie Gráfová and Michal Pitoňák and Jan Řezáč and Pavel Hobza",
	Title = "{Comparative study of selected wave function and density functional methods for noncovalent interaction energy calculations using the extended S22 data set}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "6",
	Pages = "2365–2376",
	collection = "molecular interactions",
	doi = "10.1021/ct1002253",
	year = 2010
}

@Article{2010-Groot-Stoyanov,
	Author = "Robert D. Groot and Simeon D. Stoyanov",
	Title = "{CLose apcking density and fracture strength of adsorbed polydisperse particle layers}",
	Journal = "Soft Matter",
	Volume = "7",
	Pages = "4750",
	collection = "jamming",
	doi = "10.1039/c0sm00859a",
	rating = "2",
	read = "2011-09-05",
	year = 2010
}

@Article{2010-Grzelczak-VFL,
	Author = "Marek Grzelczak and Jan Vermant and Eric M. Furst and Luis M. Liz-Marzan",
	Title = "{Directed self-assembly of nanoparticles}",
	Journal = "ACS Nano",
	Volume = "4",
	Number = "7",
	Pages = "3591–3605",
	collection = "nanoparticles",
	doi = "10.1021/nn100869j",
	keywords = "self-assembly",
	type = "Review",
	year = 2010
}

@Article{2010-Hall-JS,
	Author = "Lisa M. Hall and Arthi Jayaraman and Kenneth S. Schweizer",
	Title = "{Molecular theories of polymer nanocomposites}",
	Journal = "Curr. Op. Solid State Mat. Sci.",
	Volume = "14",
	Pages = "38–48",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.cossms.2009.08.004",
	keywords = "polymer nanocomposites",
	type = "Review",
	year = 2010
}

@Article{2010-Hall-Schweizer,
	Author = "Lisa M. Hall and Kenneth S. Schweizer",
	Title = "{Structure, scattering patterns and phase behavior of polymer nanocomposites with nonspherical fillers}",
	Journal = "Soft Matter",
	Volume = "6",
	Pages = "1015–1025",
	collection = "polymer nanocomposites",
	doi = "10.1039/b919160g",
	keywords = "nanoplates; nanorods; polymer nanocomposites",
	year = 2010
}

@Article{2010-Hammond-DPS,
	Author = "Matthew R. Hammond and Herve Dietsch and Olivier Pravaz and Peter Schurtenberger",
	Title = "{Mutual alignment of block copolymer-magnetic nanoparticle composites in a magnetic field}",
	Journal = "Macromolecules",
	Volume = "43",
	Pages = "8340–8343",
	Note = "Demonstrates the alignment of diblock copolymer lamellae along with needle-like NPs in a magnetic field, and associated problems.",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma1012896",
	keywords = "alignment; block copolymers; magnetic fields; mesophase coexistence; nanorods; polymer nanocomposites; thin films",
	methods = "SAXS, TEM",
	systems = "hematite(needles)-P2VP-PS@PS-P2VP",
	year = 2010
}

@Article{2010-Han-KJC,
	Author = "Young-Kyu Han and Hyemi Kim and Jaehoon Jung and Young Cheol Choi",
	Title = "{Understanding the magic nature of ligand-protected gold nanoparticle Au102(MBA)44}",
	Journal = "J. Phys. Chem. C",
	Volume = "114",
	Pages = "7548–7552",
	collection = "nanoparticles",
	doi = "10.1021/jp907435s",
	keywords = "nanoparticle structure",
	year = 2010
}

@Article{2010-Hargis-SHW,
	Author = "Jacqueline C. Hargis and {Henry F. III} Schaefer and K. N. Houk and Steven E. Wheeler",
	Title = "{Noncovalent interactions of a benzo[a]pyrene diol epoxide with DNA base pairs: insight into the formation of adducts of (+)-BaP DE-2 with DNA}",
	Journal = "J. Phys. Chem. A",
	Volume = "114",
	Pages = "2038–2044",
	collection = "nucleic acid intercalation",
	doi = "10.1021/jp911376p",
	year = 2010
}

@Article{2010-Harton-KYKHLMLVG,
	Author = "Shane E. Harton and Sanat K. Kumar and Hoichang Yang and Tadanori Koga and Kyle Hicks and HyungKi Lee and Jovan Mijovic and Ming Liu and Richard S. Vallery and David W. Gidley",
	Title = "{Immobilized polymer layers on spherical nanoparicles}",
	Journal = "Macromolecules",
	Volume = "43",
	Pages = "3415–3421",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma902484d",
	keywords = "polymer nanocomposites",
	year = 2010
}

@Article{2010-He-ZL,
	Author = "Linli He and Linxi Zhang and Haojun Liang",
	Title = "{Mono- or bidisperse nanorods mixtures in diblock copolymers}",
	Journal = "Polymer",
	Volume = "51",
	Pages = "3303–3314",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.polymer.2010.05.026",
	keywords = "block copolymers; mesophase transitions; nanorods; polydispersity; polymer nanocomposites",
	methods = "DPD",
	year = 2010
}

@Article{2010-Hohenstein-Sherrill,
	Author = "Edward G. Hohenstein and C. David Sherrill",
	Title = "{Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory}",
	Journal = "J. Chem. Phys.",
	Volume = "133",
	Pages = "014101",
	collection = "molecular interactions",
	doi = "10.1063/1.3451077",
	year = 2010
}

@Article{2010-Hohenstein-Sherrill-1,
	Author = "Edward G. Hohenstein and C. David Sherrill",
	Title = "{Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: implementation and application to probe the nature of pi-pi interactions in linear acenes}",
	Journal = "J. Chem. Phys.",
	Volume = "132",
	Pages = "184111",
	collection = "molecular interactions",
	doi = "10.1063/1.3426316",
	year = 2010
}

@Article{2010-Hong-LWKXJZNW,
	Author = "Augustin J. Hong and Chi-Chun Liu and Yong Wang and Jiyoung Kim and Faxian Xiu and Shengxiang Ji and Jin Zou and Paul F. Nealey and Kang L. Wang",
	Title = "{Metal nanodot memory by self-assembled block copolymer lift-off}",
	Journal = "Nano Lett.",
	Volume = "10",
	Pages = "224–229",
	collection = "block copolymers",
	doi = "10.1021/nl903340a",
	keywords = "block copolymers; memory materials",
	year = 2010
}

@Article{2010-Horowitz-ECQSLH,
	Author = "Eric D. Horowitz and Aaron E. Engelhart and Michael C. Chen and Kaycee A. Quarles and Michael W. Smith and David G. Lynn and Nicholas V. Hud",
	Title = "{Intercalation as a means to suppress cyclization and promote polymerization of base-pairing oligonucleotides in a prebiotic world}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "107",
	Number = "12",
	Pages = "5288–5293",
	collection = "nucleic acid intercalation",
	year = 2010
}

@Article{2010-Ishikawa-Kuwata,
	Author = "Takeshi Ishikawa and Kazuo Kuwata",
	Title = "{Interaction analysis of the native structure of prion protein with quantum chemical calculations}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "6",
	Pages = "538–547",
	collection = "proteins",
	doi = "10.1021/ct900456v",
	year = 2010
}

@Article{2010-Jancar-DSKCLS,
	Author = "J. Jancar and J. F. Douglas and F. W. Starr and S. K. Kumar and P. Cassagnau and A. J. Lesser and S. S. Sternstein and M. J. Buehler",
	Title = "{Current issues in research on structure-property relationships in polymer nanocomposites}",
	Journal = "Polymer",
	Volume = "51",
	Pages = "3321–3343",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.polymer.2010.04.074",
	keywords = "polymer nanocomposites; structure-property relationships; nanoparticle dispersion",
	rating = "2",
	read = "2012-04-09",
	type = "Review",
	year = 2010
}

@Article{2010-Janowski-FP,
	Author = "Tomasz Janowski and Alan R. Ford and Peter Pulay",
	Title = "{Accurate correlated calculation of the intermolecular potential surface in the coronene dimer}",
	Journal = "Mol. Phys.",
	Volume = "108",
	Number = "3-4",
	Pages = "249–257",
	collection = "stacking",
	doi = "10.1080/00268970903397249",
	methods = "SCS-MP2/aTZ, QCISD(T)/aDZ",
	systems = "coronene dimer",
	year = 2010
}

@Article{2010-Jouault-DSCSJB,
	Author = "Nicolas Jouault and Florent Dalmas and Emanuela Di Cola and Ralf Schweins and Jacques Jestin and Francois Boue",
	Title = "{Direct measurement of polymer chain conformation in well-controlled model nanocomposites by combining SANS and SAXS}",
	Journal = "Macromolecules",
	Volume = "43",
	Pages = "9881–9891",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma101682t",
	keywords = "polymer nanocomposites",
	year = 2010
}

@Article{2010-Jouault-DSCSJH,
	Author = "Nicolas Jouault and Florent Dalmas and Sylvere Said and Emanuela Di Cola and Ralf Schweins and Jacques Jestin and Francois Boue",
	Title = "{Direct small-angle-neutron-scattering observation of stretched chain conformation in nanocomposites: more insight on polymer contributions in mechanical reinforcement}",
	Journal = "Phys. Rev. E",
	Volume = "82",
	Pages = "031801",
	collection = "polymer nanocomposites",
	doi = "10.1103/PhysRevE.82.031801",
	keywords = "polymer nanocomposites",
	year = 2010
}

@Article{2010-Kamerlin-Warshel,
	Author = "Shina C. L. Kamerlin and Arieh Warshel",
	Title = "{At the dawn of the 21st century: is dynamics the missing link for understanding enzyme catalysis?}",
	Journal = "Proteins",
	Volume = "78",
	Pages = "1339–1375",
	collection = "enzymes",
	doi = "10.1002/prot.22654",
	year = 2010
}

@Article{2010-Khashman,
	Author = "Adnan Khashman",
	Title = "{Modeling congitive and emotional processes: a novel neural network architecture}",
	Journal = "Neural Networks",
	Volume = "23",
	Pages = "1155–1163",
	Note = "Page 1156: Our hypothesis is that the emotional and cognitive processes which are activated by visual stimuli, such as an image, can be modeled in machines, and the way to model these two kinds of processes, is to clearly define separate 'routes' for emotional and congitive information within the model, while processing the information collectively. (...) We associate the ventral/emotional information with global representation of input visual stimuli and the dorsal/cognitive information with the local representation.",
	collection = "neuroscience",
	doi = "10.1016/j.neunet.2010.07.004",
	keywords = "neural network; emotion; cognition",
	rating = "2",
	read = "2013-08-20",
	year = 2010
}

@Article{2010-Kim-LY,
	Author = "Shin-Hyun Kim and Su Yeon Lee and Seung-Man Yang",
	Title = "{Janus microspheres for a highly flexible and impregnable water-repelling interface}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "122",
	Pages = "2589–2592",
	collection = "nanoparticles",
	doi = "10.1002/ange.201000108",
	keywords = "Janus particles; nanospheres",
	year = 2010
}

@Article{2010-Kim-PH,
	Author = "Ho-Cheol Kim and Sang-Min Park and William D. Hinsberg",
	Title = "{Block copolymer based nanostructures: materials, processes, and applications to electronics}",
	Journal = "Chem. Rev.",
	Volume = "110",
	Pages = "146–177",
	collection = "block copolymers",
	doi = "10.1021/cr900159v",
	keywords = "block copolymers; memory materials",
	type = "Review",
	year = 2010
}

@Article{2010-Kirmizialtin-Elber,
	Author = "Serdal Kirmizialtin and Ron Elber",
	Title = "{Computational exploration of mobile ion distributions around RNA duplex}",
	Journal = "J. Phys. Chem. B",
	Volume = "114",
	Pages = "8207–8220",
	collection = "nucleic acids",
	doi = "10.1021/jp911992t",
	year = 2010
}

@Article{2010-Kolar-KH,
	Author = "Michal Kolář and Tomáš Kubař and Pavel Hobza",
	Title = "{Sequence-dependent configurational entropy change of DNA upon intercalation}",
	Journal = "J. Phys. Chem. B",
	Volume = "114",
	Number = "42",
	Pages = "13446–13454",
	collection = "nucleic acid intercalation",
	doi = "10.1021/jp1019153",
	year = 2010
}

@Article{2010-Kuilla-BYKBL,
	Author = "Tapas Kuilla and Sambhu Bhadra and Dahu Yao and Nam Hoom Kim and Saswata Bose and Joong Hee Lee",
	Title = "{Recent advances in graphene based polymer composites}",
	Journal = "Prog. Polym. Sci.",
	Volume = "35",
	Pages = "1350–1375",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.progpolymsci.2010.07.005",
	keywords = "graphene; polymer nanocomposites",
	type = "Review",
	year = 2010
}

@Article{2010-Kumar-Krishnamoorti,
	Author = "Sanat K. Kumar and Ramanan Krishnamoorti",
	Title = "{Nanocomposites: structure, phase behavior, and properties}",
	Journal = "Annu. Rev. Chem. Biomol. Eng.",
	Volume = "1",
	Pages = "37–58",
	Note = "Although quite brief and selective, contains excellent references.",
	collection = "polymer nanocomposites",
	doi = "10.1146/annurev-chembioeng-073009-100856",
	keywords = "polymer nanocomposites",
	rating = "2",
	read = "2011-10-11",
	type = "Review",
	year = 2010
}

@Article{2010-Li-Gu,
	Author = "Yang Li and Ning Gu",
	Title = "{Thermodynamics of charged nanoparticle adsorption on charge-neutral membranes: a simulation study}",
	Journal = "J. Phys. Chem. B",
	Volume = "114",
	Pages = "2749–2754",
	collection = "nanoparticles",
	doi = "10.1021/jp904550b",
	keywords = "biological nanocomposites; lipid bilayers; nanospheres",
	methods = "CG MD",
	year = 2010
}

@Article{2010-Liang-CM,
	Author = "Qing Liang and Qing-Hu Chen and Yu-quang Ma",
	Title = "{Membrane-mediated interactions between nanoparticles on a substrate}",
	Journal = "J. Phys. Chem. B",
	Volume = "114",
	Pages = "5359–5364",
	collection = "nanoparticles",
	doi = "10.1021/jp910852d",
	keywords = "biological nanocomposites; lipid bilayers; nanospheres; thin films",
	year = 2010
}

@Article{2010-Lodola-SFRMM,
	Author = "Alessio Lodola and Jitnapa Sirirak and Natalie Fey and Silvia Rivara and Marco Mor and Adrian J. Mulholland",
	Title = "{Structural fluctuations in enzyme-catalyzed reactions: determinants of reactivity in fatty acid amide hydrolase from multiviriate statistical analysis of quantum mehcanics/molecular mechanics paths}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "6",
	Pages = "2948–2960",
	collection = "enzymes",
	doi = "10.1021/ct100264j",
	year = 2010
}

@Article{2010-Meth-Lustig,
	Author = "Jeffrey S. Meth and Steven Raymond Lustig",
	Title = "{Polymer interphase structure near nanoscale inclusions: comparison between random walk theory and experiment}",
	Journal = "Polymer",
	Volume = "51",
	Pages = "4259–4266",
	collection = "nanoparticles",
	doi = "10.1016/j.polymer.2010.06.043",
	keywords = "nanospheres; polymer nanocomposites",
	year = 2010
}

@Article{2010-Neuman-Nave,
	Author = "Yair Neuman and Ophir Nave",
	Title = "{Why the brain needs language in order ot be self-conscious}",
	Journal = "New Ideas Psychol.",
	Volume = "38",
	Pages = "37–48",
	Note = "Gathers some stimulating ideas from previous literature and suggests a general mechanism by which the capacity of language to refer to itself is central to the ability of the human mind to reflect on itself. The discussion is grounded in dynamical systems, the reconstruction of their phase space trajectories and recurrent points, although the technical details of how this applies to the brain this are not substantial.",
	collection = "neuroscience",
	doi = "10.1016/j.newideapsych.2009.05.001",
	keywords = "self-consciousness; inner speech; dynamical systems",
	rating = "2",
	read = "2013-08-17",
	year = 2010
}

@Article{2010-Pitonak-NH,
	Author = "Michal Pitoňák and P. Neogrády and Pavel Hobza",
	Title = "{Three- and four-body nonadditivities in nucleic acid tetramers: a CCSD(T) study}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "12",
	Pages = "1369–1378",
	collection = "nucleic acid bases",
	year = 2010
}

@Article{2010-Platts-Hill,
	Author = "James A. Platts and J. Grant Hill",
	Title = "{Non-covalent interactions using local correlation methods: energy partitioning, geometry optimisation and harmonic frequency calculations}",
	Journal = "Mol. Phys.",
	Volume = "108",
	Number = "11",
	Pages = "1497–1504",
	collection = "molecular interactions",
	doi = "10.1080/00268971003757977",
	keywords = "noncovalent interactions",
	year = 2010
}

@Article{2010-Ploshnik-SBS,
	Author = "Elina Ploshnik and Asaf Salant and Uri Banin and Roy Shenhar",
	Title = "{Hierarchical surface patterns of nanorods obtained by co-assembly with block copolymers in ultrathin films}",
	Journal = "Adv. Mater.",
	Volume = "22",
	Pages = "2774–2779",
	Note = "Coated CdSe nanorods assembling in rows inside the PS domains of a PS-b-PMMA thin film.",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/adma.201000573",
	keywords = "block copolymers; self-assembly; nanorods; polymer nanocomposites; thin films",
	methods = "AFM, SEM",
	rating = "2",
	systems = "CdSe(rods)-S@PS-PMMA",
	year = 2010
}

@Article{2010-Ploshnik-SBS-1,
	Author = "Elina Ploshnik and Asaf Salant and Uri Banin and Roy Shenhar",
	Title = "{Co-assembly of block copolymers and nanorods in ultrathin films: effects of copolymer size and nanorod filling fraction}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "12",
	Pages = "11885–11893",
	collection = "block copolymer nanocomposites",
	keywords = "block copolymers; self-assembly; nanorods; polymer nanocomposites; thin films",
	methods = "AFM, SEM",
	rating = "2",
	year = 2010
}

@Article{2010-Posocco-PFLP,
	Author = "Paola Posocco and Zbyšek Posel and Maurizio Fermeglia and Martin Lísal and Sabrina Pricl",
	Title = "{A molecular simulation approach to the prediction of the morphology of self-assembled nanoparticles in diblock copolymers}",
	Journal = "J. Mater. Chem.",
	Volume = "20",
	Pages = "10511–10520",
	collection = "block copolymer nanocomposites",
	doi = "10.1039/c0jm01561j",
	keywords = "block copolymers; nanoparticle aggregation; polymer nanocomposites",
	methods = "DPD",
	rating = "2",
	year = 2010
}

@Article{2010-Riley-PCH,
	Author = "Kevin E. Riley and Michal Pitoňák and Jiří Černý and Pavel Hobza",
	Title = "{On the structure and geometry of biomolecular binding motifs (hydrogen-bonding, stacking, X-H···π): WFT and DFT calculations}",
	Journal = "J. Chem. Theory Comp.",
	Number = "6",
	collection = "molecular interactions",
	doi = "10.1021/ct900376r",
	year = 2010
}

@Article{2010-Riley-PJH,
	Author = "Kevin E. Riley and Michal Pitoňák and Petr Jurečka and Pavel Hobza",
	Title = "{Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories}",
	Journal = "Chem. Rev.",
	Volume = "110",
	Pages = "5023–5063",
	collection = "molecular interactions",
	doi = "10.1021/cr1000173",
	keywords = "noncovalent interactions",
	type = "Review",
	year = 2010
}

@Article{2010-Santiago-CRALKDE,
	Author = "A. A. Hernandez Santiago and Salvador Rosas Castilla and Albino Morales Rodriguez and Elena Aeskerova and Anastasia Lantushenko and Viktor V. Kostjukov and David Davies and Maxim Evstigneev",
	Title = "{Relation between structure and enthalpy for stacking interactions of aromatic molecules}",
	Journal = "Mol. Phys.",
	Volume = "108",
	Number = "15",
	Pages = "1941–1947",
	collection = "stacking",
	doi = "10.1080/00268976.2010.498389",
	keywords = "aromatic stacking",
	year = 2010
}

@Article{2010-Schwabe-HG,
	Author = "Tobias Schwabe and Robert Huenerbein and Stefan Grimme",
	Title = "{Large molecules – small energies: challanges for contemporary quantum chemistry}",
	Journal = "SYNLETT",
	Number = "10",
	Pages = "1431–1441",
	collection = "quantum chemistry",
	doi = "10.1055/s-0029-1219930",
	year = 2010
}

@Article{2010-Seifpour-SNJ,
	Author = "Arezou Seifpour and Philip Spicer and Nitish Nair and Arthi Jayaraman",
	Title = "{Effect of monomer sequences on conformation of copolymers grafted on spherical nanoparticles: a Monte Carlo simulation study}",
	Journal = "J. Chem. Phys.",
	Volume = "132",
	Pages = "164901",
	Note = "Radius of gyration and monomer aggregation at small grafting densities.",
	collection = "nanoparticles",
	doi = "10.1063/1.3385469",
	keywords = "nanoparticle grafts; nanoconfinement",
	methods = "Monte Carlo",
	year = 2010
}

@Article{2010-Stojkovic-MOP,
	Author = "Marijana Radić Stojković and Saska Marczi and Ljubica Glavaš-Obrovac and Ivo Piantanida",
	Title = "{Permanent positive charge strongly influences DNA/RNA binding and antiproliferative activity of urea-phenanthridinium conjugates}",
	Journal = "Eur. J. Med. Chem.",
	Volume = "45",
	Pages = "3281–3292",
	collection = "nucleic acid intercalation",
	doi = "10.1016/j.ejmech.2010.04.006",
	year = 2010
}

@Article{2010-Stone-Korley,
	Author = "David A. Stone and LaShanda T. J. Korley",
	Title = "{Bioinspired polymeric nanocomposites}",
	Journal = "Macromolecules",
	Volume = "43",
	Pages = "9217–9226",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma101661p",
	keywords = "biological nanocomposites",
	type = "Perspective",
	year = 2010
}

@Article{2010-Svozil-HS,
	Author = "Daniel Svozil and Pavel Hobza and Jiří Šponer",
	Title = "{Comparison of intrinsic stacking energies of ten unique dinucleotide steps in A-RNA and B-DNA duplexes. Can we determine correct order of stability by quantum-chemical calculations?}",
	Journal = "J. Phys. Chem. B",
	Volume = "114",
	Pages = "1191–1203",
	collection = "stacking",
	doi = "10.1021/jp910788e",
	year = 2010
}

@Article{2010-Takatani-HMMS,
	Author = "Tait Takatani and Edward G. Hohenstein and Massimo Malagoli and Michael S. Marshall and C. David Sherrill",
	Title = "{Basis set consistent revision of the S22 test set of noncovalent interaction energies}",
	Journal = "J. Chem. Phys.",
	Volume = "132",
	Pages = "144104",
	collection = "molecular interactions",
	doi = "10.1063/1.3378024",
	year = 2010
}

@Article{2010-Thompson,
	Author = "Russell B. Thompson",
	Title = "{Tilt grain boundaries in a diblock copolymer ordered nanocomposite lamellar phase}",
	Journal = "J. Chem. Phys.",
	Volume = "133",
	Pages = "144902",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.3498784",
	keywords = "block copolymers; nanospheres; polymer nanocomposites",
	year = 2010
}

@Article{2010-Valiev-BGKSDWNAWJ,
	Author = "M. Valiev and E. J. Bylaska and N. Govind and K. Kowalski and T. P. Straatsma and H. J. J. {van Dam} and D. Wang and J. Nieplocha and E. Apra and Theresa L. Windus and W. A. {de Jong}",
	Title = "{NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations}",
	Journal = "Comput. Phys. Commun.",
	Volume = "181",
	Number = "9",
	Pages = "1477–1489",
	collection = "cheminformatics",
	doi = "10.1016/j.cpc.2010.04.018",
	year = 2010
}

@Article{2010-Villet-Fredrickson,
	Author = "Michael C. Villet and Glenn H. Fredrickson",
	Title = "{Numerical coarse-graining of fluid field theories}",
	Journal = "J. Chem. Phys.",
	Volume = "132",
	Pages = "034109",
	collection = "coarse graining",
	doi = "10.1063/1.3289723",
	keywords = "coarse graining",
	year = 2010
}

@Article{2010-Wang-Dormidontova,
	Author = "Shihu Wang and Elena E. Dormidontova",
	Title = "{Nanoparticle design optimization for enhanced targeting: Monte Carlo simulations}",
	Journal = "Biomacromolecules",
	Volume = "11",
	Number = "7",
	Pages = "1785–1795",
	collection = "nanoparticles",
	doi = "10.1021/bm100248e",
	keywords = "nanoparticle grafts; nanospheres; receptors",
	year = 2010
}

@Article{2010-Wong-Pollack,
	Author = "Gerard C. L. Wong and Lois Pollack",
	Title = "{Electrostatics of strongly charged biological polymers: ion-mediated interactions and self-organization in nulceic acids and proteins}",
	Journal = "Annu. Rev. Phys. Chem.",
	Volume = "61",
	Pages = "171–189",
	collection = "nucleic acids",
	doi = "10.1146/annurev.physchem.58.032806.104436",
	rating = "2",
	read = "2012-08-13",
	year = 2010
}

@Article{2010-Xu-CW,
	Author = "Xiafei Xu and Dapeng Cao and Jianzhong Wu",
	Title = "{Density functional theory for predicting polymeric forces against surface fouling}",
	Journal = "Soft Matter",
	Volume = "6",
	Pages = "4631–4646",
	collection = "polymer nanocomposites",
	doi = "10.1039/c0sm00034e",
	keywords = "polymer nanocomposites",
	methods = "DFT",
	type = "Review",
	year = 2010
}

@Article{2010-Xu-FY,
	Author = "Guang-Kui Xu and Xi-Qiao Feng and Shou-Wen Yu",
	Title = "{Controllable nanostructural transitions in grafted nanoparticle-block copolymer composites}",
	Journal = "Nano Res.",
	Volume = "3",
	Pages = "356–362",
	collection = "block copolymer nanocomposites",
	doi = "10.1007/s12274-010-1039-8",
	keywords = "block copolymers; mesophase transitions; nanoparticle distribution; nanoparticle grafts; nanospheres; polymer nanocomposites",
	methods = "SCFT",
	year = 2010
}

@Article{2010-Yager-FZBKJ,
	Author = "Kevin G. Yager and Nathaniel J. Fredin and Xiaohua Zhang and Brian C. Berry and Alamgir Karim",
	Title = "{Evolution of block-copolymer order through a moving thermal zone}",
	Journal = "Soft Matter",
	Volume = "6",
	Pages = "92–99",
	Note = "So the idea is nice, but I've heard it has already been tried before and is hard to perfect and scale. Might be a good process to optimize through simulation.",
	collection = "block copolymers",
	doi = "10.1039/b916200c",
	keywords = "thin films; alignment",
	methods = "AFM, CZA, SAXS",
	rating = "2",
	read = "2011-04-05",
	systems = "PS-b-PMMA",
	year = 2010
}

@Article{2010-Yan-PGB,
	Author = "Li-Tang Yan and Nicole Popp and Sujit-Kumar Ghosh and Alexander Böker",
	Title = "{Self-assembly of Janus nanoparticles in diblock copolymers}",
	Journal = "ACS Nano",
	Volume = "4",
	Number = "2",
	Pages = "913–920",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nn901739v",
	keywords = "block copolymers; Janus particles; polymer nanocomposites",
	methods = "DPD",
	year = 2010
}

@Article{2010-Yan-SB,
	Author = "Li-Tang Yan and Heiko G. Schoberth and Alexander Böker",
	Title = "{Lamellar microstructure and dynamic behavior of diblock copolymer/nanoparticle composites under electric fields}",
	Journal = "Soft Matter",
	Volume = "6",
	Pages = "5956–5964",
	collection = "block copolymer nanocomposites",
	doi = "10.1039/c0sm00184h",
	keywords = "block copolymers; electric fields; nanospheres; polymer nanocomposites",
	methods = "CDS/BD",
	rating = "1",
	read = "2011-04-10",
	year = 2010
}

@Article{2010-Ye-Carroll,
	Author = "Shengrong Ye and R. Lloyd Carroll",
	Title = "{Design and fabrication of bimetallic colloidal Janus particles}",
	Journal = "Appl. Mater. Inter.",
	Volume = "2",
	Number = "3",
	Pages = "616–620",
	collection = "nanoparticles",
	doi = "10.1021/am900839w",
	keywords = "Janus particles; nanospheres",
	year = 2010
}

@Article{2011-Alexandridis-Tsianou,
	Author = "Paschalis Alexandridis and Marina Tsianou",
	Title = "{Block copolymer-directed metal nanoparticle morphogenesis and organization}",
	Journal = "Eur. Polym. J.",
	Volume = "47",
	Pages = "569–583",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.eurpolymj.2010.10.021",
	keywords = "block copolymers; polymer nanocomposites",
	type = "Review",
	year = 2011
}

@Article{2011-Bencher-SMCCCSTTHH,
	Author = "Chris Bencher and Jeffrey Smith and Liyan Miao and Cathy Cai and Yongmei Chen and Joy Y. Cheng and Daniel P. Sanders and Melia Tjio and Hoa D. Truong and Steven Holmes and William D. Hinsberg",
	Title = "{Self-assembly patterning for sub-15nm half-pitch: a transition from lab to fab}",
	Journal = "Proc. SPIE",
	Volume = "7970",
	Pages = "79700F",
	collection = "block copolymers",
	doi = "10.1117/12.881293",
	keywords = "block copolymers; thin films",
	rating = "2",
	year = 2011
}

@Article{2011-Benkova-SC,
	Author = "Zuzana Benkova and Borys Szefczyk and Natalia D. S. Cordeiro",
	Title = "{Molecular dymamics study of hydrated poly(ethylene oxide) chains grafted on siloxane surface}",
	Journal = "Macromolecules",
	Volume = "44",
	Pages = "3639–3648",
	collection = "polymer brushes",
	doi = "10.1021/ma200233g",
	keywords = "polymer brushes",
	methods = "MD",
	rating = "2",
	year = 2011
}

@Article{2011-Chen-Ruckenstein,
	Author = "Houyang Chen and Eli Ruckenstein",
	Title = "{Aggregation of nanoparticles in a block copolymer bilayer}",
	Journal = "J. Coll. Int. Sci.",
	Volume = "363",
	Pages = "573–578",
	collection = "block copolymer nanocomposites",
	keywords = "block copolymers; nanoparticle aggregation; nanospheres; polymer nanocomposites; thin films",
	methods = "DPD",
	year = 2011
}

@Article{2011-Dror-AMMPXBS,
	Author = "Ron O. Dror and Daniel H. Arlow and Paul Maragakis and Thomas J. Mildorf and Albert C. Pan and Huafeng Xu and David W. Borhani and David E. Shaw",
	Title = "{Activation mechanism of the β2-adrenergic receptor}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "108",
	Number = "46",
	Pages = "18684–18689",
	collection = "molecular signaling",
	doi = "10.1073/pnas.1110499108",
	methods = "MD",
	rating = "2",
	year = 2011
}

@Article{2011-Dror-PABMSXS,
	Author = "Ron O. Dror and Albert C. Pan and Daniel H. Arlow and David W. Borhani and Paul Maragakis and Yibing Shan and Huafeng Xu and David E. Shaw",
	Title = "{Pathway and mechanism of drug binding to G-protein-coupled receptors}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "108",
	Number = "32",
	Pages = "13118–13123",
	collection = "molecular signaling",
	doi = "10.1073/pnas.1104614108",
	year = 2011
}

@Article{2011-Faver-BHRWMSM,
	Author = "John C. Faver and Mark L. Benson and Xiao He and Benjamin P. Roberts and Bing Wang and Michael S. Marshall and C. David Sherrill and Kenneth M. Merz Jr.",
	Title = "{The energy computationa paradox and ab initio protein folding}",
	Journal = "PLoS ONE",
	Volume = "6",
	Pages = "e18868",
	collection = "protein structure",
	doi = "10.1371/journal.pone.0018868",
	methods = "MD; MP2; CCSD",
	rating = "2",
	year = 2011
}

@Article{2011-Fischer-SKWF,
	Author = "Steffen Fischer and Andrea Salcher and Andread Knorowski and Horst Weller and Stephan Forster",
	Title = "{Completely miscible nanocomposites}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "50",
	Pages = "7811–7814",
	collection = "polymer nanocomposites",
	doi = "10.1002/anie.201006746",
	keywords = "nanoparticle distribution; polymer nanocomposites",
	year = 2011
}

@Article{2011-Fraaije-NRG,
	Author = "Johannes G. E. M. Fraaije and Shyamal K. Nath and Klaas Remerie and Jan Groenewold",
	Title = "{Phase evolution theory for polymer blends with extreme chemical dispersity: parametrization of DDFT simulations and application to poly(propylene) impact copolymers}",
	Journal = "Macromol. Theory Simul.",
	Volume = "20",
	Pages = "133–145",
	collection = "block copolymers",
	doi = "10.1002/mats.201000056",
	year = 2011
}

@Article{2011-Fritz-KHVK,
	Author = "Domini Fritz and Konstantin Koschke and Vagelis A. Harmandaris and Nico F. A. van der Vegt and Kurt Kremer",
	Title = "{Mutliscale modeling of soft matter: scaling of dynamics}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "13",
	Pages = "10412–10420",
	collection = "coarse graining",
	doi = "10.1039/c1cp20247b",
	keywords = "coarse graining",
	type = "Perspective",
	year = 2011
}

@Article{2011-Frohlich-Zifferer,
	Author = "Markus G. Fröhlich and Gerhard Zifferer",
	Title = "{Atomistic molecular dynamics simulation of surface grafted PMMA}",
	Journal = "Macromol. Theory Simul.",
	Volume = "20",
	Pages = "399–410",
	collection = "polymer brushes",
	doi = "10.1002/mats.201100019",
	keywords = "polymer brushes",
	methods = "MD",
	year = 2011
}

@Article{2011-Gam-CCOHC,
	Author = "Sangah Gam and Aysenur Corlu and Hyun-Joong Chung and Kohji Ohno and Michael J.A. Hore and Russell J. Composto",
	Title = "{A jamming morphology map of polymer blend nanocomposite films}",
	Journal = "Soft Matter",
	Volume = "7",
	Pages = "7262–7268",
	collection = "jamming",
	doi = "10.1039/c1sm05619k",
	keywords = "jamming; nanospheres; polymer blends; polymer nanocomposites; thin films",
	year = 2011
}

@Article{2011-Gerlt-AAABCDIJMPRSSS,
	Author = "John A. Gerlt and Karen N. Allen and Steven C. Almo and Richard N. Armstrong and Patricia C. Babbitt and John E. Cronan and Debra Dunaway-Mariano and Heidi J. Imker and MAtthew P. Jacobsen and Wladek Minor and C. Dale Poulter and Frank M. Raushel and Andrej Sali and Brian K. Shoichet and Jonathan V. Sweedler",
	Title = "{The enzyme function initiative}",
	Journal = "Biochemistry",
	Volume = "50",
	Pages = "9950–9962",
	collection = "enzymes",
	doi = "10.1021/bi201312u",
	rating = "3",
	read = "2012-10-10",
	year = 2011
}

@Article{2011-Goel-PDSMK,
	Author = "Vivek Goel and Joanna Pietrasik and Hongchen Dong and Jitendra Sharma and Krzysztof Matyjaszewski and Ramanan Krishnamoorti",
	Title = "{Structure of polymer tethered highly grafted nanoparticles}",
	Journal = "Macromolecules",
	Volume = "44",
	Pages = "8129–8135",
	collection = "nanoparticles",
	doi = "10.1021/ma200621r",
	keywords = "nanoparticle grafts; nanospheres; polymer mixtures; suspensions",
	systems = "silica(15nm)@PBA, silica(15nm)@PS-PA",
	year = 2011
}

@Article{2011-Griffiths-VM,
	Author = "G. H. Griffiths and Bart Vorselaars and Mark W. Matsen",
	Title = "{Unit-cell approximation for diblock-copolymer brushes grafted to spherical particles}",
	Journal = "Macromolecules",
	Volume = "44",
	Pages = "3649–3655",
	collection = "nanoparticles",
	doi = "10.1021/ma2003745",
	keywords = "nanoparticle grafts",
	methods = "SCFT",
	year = 2011
}

@Article{2011-Hall-Schweizer,
	Author = "Lisa M. Hall and Kenneth S. Schweizer",
	Title = "{Impact of monomer sequence, composition and chemical heterogeneity on copolymer-mediated effective interactions between nanoparticles in melts}",
	Journal = "Macromolecules",
	Volume = "44",
	Pages = "3149–3160",
	collection = "polymer nanocomposites",
	doi = "10.1021/ma200079z",
	keywords = "nanospheres; alternating copolymers; polymer blends; polymer nanocomposites; random copolymers",
	methods = "PRISM",
	year = 2011
}

@Article{2011-Henz-CACLB,
	Author = "Brian J. Henz and Peter W. Chung and Jan W. Andzelm and Tanya L. Chantawansri and Joseph L. Lenhart and Frederick L. Beyer",
	Title = "{Determination of binding energy and solubility parameters for functionalized gold nanoparticles by molecular dynamics simulation}",
	Journal = "Langmuir",
	Volume = "27",
	Pages = "7836–7842",
	collection = "nanoparticles",
	doi = "10.1021/la2005024",
	keywords = "nanoparticle grafts",
	year = 2011
}

@Article{2011-Hulkko-LKLKPH,
	Author = "Eero Hulkko and Olga Lopez-Acevedo and Jaakko Koivisto and Yael Levi-Kalisman and Roger D. Kornberg and Mika Pettersson and Hannu Hakkinen",
	Title = "{Electronic and vibrational signatures of the AU102(p-MBA)44 cluster}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "133",
	Pages = "3752–3755",
	collection = "nanoparticles",
	doi = "10.1021/ja111077e",
	keywords = "nanoparticle structure",
	rating = "2",
	year = 2011
}

@Article{2011-Irwin-BS,
	Author = "David M. Irwin and Jason M. Biegel and Caro-Beth Stewart",
	Title = "{Evolution of the mammalian lysozyme gene family}",
	Journal = "BMC Evol. Biol.",
	Volume = "11",
	Pages = "166",
	Note = "Identifies new members in the lysozyme gene family and suggest some of their biological functions (also pseudogenes).",
	collection = "molecular genetics",
	doi = "10.1186/1471-2148-11-166",
	keywrods = "lysozyme",
	methods = "BLAST",
	rating = "2",
	read = "2013-06-10",
	year = 2011
}

@Article{2011-Isa-ASDIKR,
	Author = "Lucio Isa and Esther Amstad and Konrad Schwenke and Emanuela Del Gado and Patrick Ilg and Martin Kröger and Erik Reimhult",
	Title = "{Adsorption of core-shell nanoparticles at liquid-liquid interfaces}",
	Journal = "Soft Matter",
	Volume = "7",
	Pages = "7663–7675",
	collection = "nanoparticles",
	doi = "10.1039/c1sm05407d",
	keywords = "binary fluids; liquid interfaces; nanoparticle grafts",
	methods = "PDT, QCM",
	rating = "2",
	read = "2012-04-27",
	systems = "Fe-PEG@n-decane/water",
	year = 2011
}

@Article{2011-Iyer-ZMCL,
	Author = "K. Swaminathan Iyer and Bogdan Zdyrko and Sergiy Malynych and George Chumanov and Igor Luzinov",
	Title = "{Reversible submergence of nanoparticles into ultrathin block copolymer films}",
	Journal = "Soft Matter",
	Volume = "7",
	Pages = "2538–2542",
	collection = "block copolymer nanocomposites",
	keywords = "block copolymers; nanospheres; polymer nanocomposites; thin films",
	methods = "AFM",
	year = 2011
}

@Article{2011-Jang-KDKLKH,
	Author = "Se Gyu Jang and Anzar Khan and Michael D. Dimitriou and Bumjoon J. Kim and Nathaniel A. Lynd and Edward J. Kramer and Craig J. Hawker",
	Title = "{Synthesis of thermaly stable Au-core-Pt-shell nanoparticles and their segregation behavior in diblock copolymer mixtures}",
	Journal = "Soft Matter",
	Volume = "7",
	Pages = "6255–6263",
	collection = "block copolymer nanocomposites",
	doi = "10.1039/c1sm05223c",
	keywords = "block copolymers; polymer nanocomposites",
	methods = "TEM, NMR, XRD, UV-VIS",
	rating = "2",
	read = "2012-03-21",
	systems = "Au-Pt@PS-P2VP",
	year = 2011
}

@Article{2011-Jang-KHK,
	Author = "Se Gyu Jang and Bumjoon J. Kim and Craig J. Hawker and Edward J. Kramer",
	Title = "{Bicontinuous block copolymer morphologies produced by interfacially active, thermally stable nanoparticles}",
	Journal = "Macromolecules",
	Volume = "44",
	Number = "23",
	Pages = "9366–9373",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma201937z",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites; thin films",
	year = 2011
}

@Article{2011-Jessop-AMR,
	Author = "David M. Jessop and Sam E. Adams and Peter Murray-Rust",
	Title = "{Mining chemical information from open patents}",
	Journal = "J. Cheminf.",
	Volume = "3",
	Pages = "40",
	collection = "cheminformatics",
	doi = "10.1186/1758-2946-3-40",
	keywords = "open data; data mining; patents; chemical markup language",
	rating = "2",
	read = "2012-09-23",
	year = 2011
}

@Article{2011-Jessop-AWHMR,
	Author = "David M. Jessop and Sam E. Adams and Egon L. Willighagen and Lezan Hawizy and Peter Murray-Rust",
	Title = "{OSCAR4: a flexible architecture for chemical text-mining}",
	Journal = "Cheminformatics",
	Volume = "3",
	Pages = "41",
	collection = "informatics",
	doi = "10.1186/1758-2946-3-41",
	keywords = "data mining; parsing",
	rating = "2",
	read = "2012-01-23",
	year = 2011
}

@Article{2011-Jiang-ZCY,
	Author = "X. C. Jiang and Q. H. Zeng and C. Y. Chen and A. B. Yu",
	Title = "{Self-assembly of particles: some thoughts and comments}",
	Journal = "J. Mater. Chem.",
	Volume = "21",
	Pages = "16797",
	Note = "Includes nice list of self-assembly techniques, their features and controlling forces; also several interesting remarks.",
	collection = "nanotechnology",
	doi = "10.1039/C1JM12213D",
	keywords = "self-assembly",
	rating = "2",
	read = "2012-08-08",
	year = 2011
}

@Article{2011-Jones-HMHAJTWDBSC,
	Author = "James T. A. Jones and Daniel Holden and Tamoghna Mitra and Tom Hasell and Dave J. Adams and Kim E. Jelfs and Abbite Trewin and David J. Willock and Graeme M. Day and John Bacsa and Alexander Steiner and Andrew I. Cooper",
	Title = "{On-off porosity switching in a molecular organic solid}",
	Journal = "Angew. Chem. Int. Ed.",
	Volume = "50",
	Pages = "749–753",
	collection = "molecular crystals",
	doi = "10.1002/anie.201006030",
	keywords = "porosity; synthetic molecular network",
	rating = "2",
	read = "2012-02-16",
	year = 2011
}

@Article{2011-Kim-Cochran,
	Author = "Seung Ha Kim and Eric W. Cochran",
	Title = "{Localization of spherical nanoparticles within lamellar AB diblock copolymer melts through self-consistent theory}",
	Journal = "Polymer",
	Volume = "52",
	Pages = "2328–2339",
	Note = "Demonstrates nonmonotonic dependence of preferred NP position in BCP lamellas on NP concentration.",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.polymer.2011.03.016",
	keywords = "block copolymers; nanoparticle distribution; nanospheres; polymer nanocomposites",
	methods = "SCFT",
	rating = "1",
	read = "2011-11-25",
	year = 2011
}

@Article{2011-Li-PMP,
	Author = "Li Li and Suzette A. Pabit and Steve P. Meisburger and Lois Pollack",
	Title = "{Double-stranded RNA resists condensation}",
	Journal = "Phys. Rev. Lett.",
	Volume = "106",
	Pages = "108101",
	Note = "Page 1: There is no universally accepted explanation of the physical origin of like-charge attraction.",
	collection = "nucleic acids",
	doi = "10.1103/PhysRevLett.106.108101",
	rating = "2",
	read = "2012-08-13",
	year = 2011
}

@Article{2011-Lin-DAGW,
	Author = "Ying Lin and Vikram K. Daga and Eric R. Anderson and Samuel P. Gido and James J. Watkins",
	Title = "{Nanoparticle-driven assembly of block copolymers: a simple route to ordered hybrid materials}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "133",
	Pages = "6513–6516",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ja2003632",
	keywords = "block copolymers; hydrogen bonding; mesophase transitions; polymer nanocomposites",
	methods = "SAXS, TEM",
	year = 2011
}

@Article{2011-Lindorff-Larsen-PDS,
	Author = "Kresten Lindorff-Larsen and Stefano Piana and Ron O. Dror and David E. Shaw",
	Title = "{How fast-folding protein fold}",
	Journal = "Science",
	Volume = "334",
	Pages = "517–520",
	Note = "Monitors the folding of a dozen different small protein using the same force field. In particular, transient native-like structures and major kinetic barriers.",
	collection = "protein structure",
	doi = "10.1126/science.1208351",
	keywords = "protein folding",
	rating = "3",
	read = "2012-04-25",
	year = 2011
}

@Article{2011-Liu-WSGZC,
	Author = "Jun Liu and Yan Wu and Jianxiang Shen and Yangyang Gao and Liqun Zhang and Dapeng Cao",
	Title = "{Polymer-nanoparticle interfacial behavior revisited: A molecular dynamics study}",
	Journal = "Phys. Chem. Chem. Phys.",
	Pages = "13058–13069",
	collection = "polymer nanocomposites",
	doi = "10.1039/C0CP02952A",
	keywords = "polymer nanocomposites",
	year = 2011
}

@Article{2011-Liu-WZWC,
	Author = "Jun Liu and Sizhu Wu and Liqun Zhang and Wenchuan Wang and Dapeng Cao",
	Title = "{Molecular dynamics simulation for insight into microscopic mechanism of polymer reinformcement}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "13",
	Pages = "518–529",
	collection = "polymer nanocomposites",
	doi = "10.1039/c0cp00297f",
	keywords = "polymer nanocomposites",
	year = 2011
}

@Article{2011-Lodola-CRCSDSMTPMM,
	Author = "Alessio Lodola and Luigi Capoferri and Silvia Rivara and Ewa Chudyk and Jitmapa Sirirak and Edyta Dyguda-Kazimierowicz and W. Andrzej Sokalski and Mauro Mileni and Giorgio Tarzia and Daniele Piomelli and Marco Mor and Adrian J. Mulholland",
	Title = "{Understanding the role of carbamate reactivity in fatty acid amide hydrolase nihibition by QM/MM mechanistic modelling}",
	Journal = "Chem. Commun.",
	Volume = "47",
	Pages = "2517–2519",
	collection = "enzymes",
	doi = "10.1039/c0cc04937a",
	year = 2011
}

@Article{2011-Ma-Li,
	Author = "Zengwei Ma and Robert K. Y. Li",
	Title = "{Effect of particle surface selectivity on composite nanostructures in nanoparticle/diblock copolymer mixture dilute solution}",
	Journal = "J. Coll. Int. Sci.",
	Volume = "363",
	Pages = "241–249",
	collection = "polymers",
	doi = "10.1016/j.jcis.2011.07.008",
	keywords = "block copolymers; nanospheres; polymer mixtures",
	methods = "SCFT",
	year = 2011
}

@Article{2011-Martin-SJ,
	Author = "Tyler B. Martin and Arezou Seifpour and Arthi Jayaraman",
	Title = "{Assembly of copolymer functionalized nanoparticles: a Monte Carlo simulation study}",
	Journal = "Soft Matter",
	Volume = "7",
	Pages = "5952",
	collection = "nanoparticles",
	doi = "10.1039/c1sm05179b",
	keywords = "block copolymers; nanoparticle grafts",
	year = 2011
}

@Article{2011-McAllister-BK,
	Author = "Linda J. McAllister and Duncan W. Bruce and Peter B. Karadakov",
	Title = "{Halogen bonding interaction between fluorohalides and isocyanides}",
	Journal = "J. Phys. Chem. A",
	Volume = "115",
	Pages = "11079–11086",
	collection = "basis set superposition",
	doi = "10.1021/jp207119c",
	keywords = "halogen bonding",
	year = 2011
}

@Article{2011-Milano-SRCD,
	Author = "Giuseppe Milano and G. Santangel and F. Ragone and L. Cavallo and A. {Di Matteo}",
	Title = "{Gold nanoparticle/polymer interfaces: all atom structures fro molecular dynamics simulations}",
	Journal = "J. Phys. Chem. C",
	Volume = "115",
	Pages = "15154–15163",
	collection = "nanoparticles",
	doi = "10.1021/jp201374h",
	keywords = "nanoparticle grafts; nanospheres",
	year = 2011
}

@Article{2011-Murray-Rust,
	Author = "Peter Murray-Rust",
	Title = "{Semantic science and its communication – a personal view}",
	Journal = "J. Cheminf.",
	Volume = "3",
	Pages = "48",
	Note = "An interesting point of view and historical backdrop for open chemical science.",
	collection = "cheminformatics",
	doi = "10.1186/1758-2946-3-48",
	keywords = "open data; semantic web",
	rating = "3",
	read = "2012-09-02",
	url = "http://www.jcheminf.com/content/3/1/48",
	year = 2011
}

@Article{2011-Murray-Rust-ADWZ,
	Author = "Peter Murray-Rust and Sam E. Adams and Jim Downing and Joe A. Townsend and Yong Zhang",
	Title = "{The semantic architecture of the World-Wide Molecular Matrix (WWMM)}",
	Journal = "J. Cheminf.",
	Pages = "42",
	collection = "cheminformatics",
	doi = "10.1186/1758-2946-3-42",
	keywords = "semantic web",
	rating = "2",
	read = "2013-05-11",
	url = "http://www.jcheminf.com/content/3/1/42",
	volme = "3",
	year = 2011
}

@Article{2011-Murray-Rust-Rzepa,
	Author = "Peter Murray-Rust and henry S. Rzepa",
	Title = "{CML: evolution and design}",
	Journal = "J. Cheminf.",
	Volume = "3",
	Pages = "44",
	Note = "Does not discuss the technical side of CML, but provides a nice historic perspective.",
	collection = "cheminformatics",
	doi = "10.1186/1758-2946-3-44",
	keywords = "chemical markup language; semantic web; open data",
	rating = "2",
	read = "2012-09-10",
	url = "http://www.jcheminf.com/content/3/1/44",
	year = 2011
}

@Article{2011-Murray-Rust-TAPT,
	Author = "Peter Murray-Rust and Joe A. Townsend and Sam E. Adams and Weerapong Phadungsukanan and Jens Thomas",
	Title = "{The semantics of chemical markup langauge (CML): dictionaries and conventions}",
	Journal = "J. Cheminf.",
	Volume = "3",
	Pages = "43",
	Note = "Discusses the technicalities of CML semantics.",
	collection = "cheminformatics",
	doi = "10.1186/1758-2946-3-43",
	keywords = "chemical markup language",
	rating = "1",
	read = "2013-05-10",
	url = "http://www.jcheminf.com/content/3/1/43",
	year = 2011
}

@Article{2011-Nair-WJ,
	Author = "Nitish Nair and Nathaniel Wentzel and Arthi Jayaraman",
	Title = "{Effect of bidispersity in grafted chain length on grafted chain conformations and potential of mean force between polymer grafted nanoparticles in a homopolymer matrix}",
	Journal = "J. Chem. Phys.",
	Volume = "134",
	Pages = "194906",
	collection = "nanoparticles",
	doi = "10.1063/1.3590275",
	keywords = "nanoparticle grafts; polydispersity",
	methods = "MC, PRISM",
	year = 2011
}

@Article{2011-Ndoro-VGTBM,
	Author = "Tinashe V. M. Ndoro and Evangelos Voyiatzis and Azadeh Ghanbari and Doros N. Theodorou and Michael C. Böhm and Florian Müller-Plathe",
	Title = "{Interface of grafted and ungrafted silica nanoparticle with a polystyrene matrix: atomistic molecular dynamics simulations}",
	Journal = "Macromolecules",
	Volume = "44",
	Pages = "2316–2327",
	collection = "nanoparticles",
	keywords = "nanoparticle grafts; nanospheres; polymer nanocomposites",
	methods = "MD",
	year = 2011
}

@Article{2011-Neylon,
	Author = "Cameron Neylon",
	Title = "{Three stories about the conduct of science: Past, future, and present}",
	Journal = "J. Cheminf.",
	Volume = "3",
	Pages = "35",
	Note = "Manifest included: I want my work to make a difference. I will act to optimize te potential for my work to make a difference. I will persuade others to optimize the potential for their work to make a difference.",
	collection = "cheminformatics",
	keywords = "open data; semantic web",
	year = 2011
}

@Article{2011-Nicola-ZKRM,
	Author = "Antonio De Nicola and Ying Zhao and Toshihiro Kawakatsu and Danilo Roccatano and Giuseppe Milano",
	Title = "{Hybrid particle–field coarse-grained models for biological phospholipids}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "7",
	Pages = "2947–2962",
	collection = "lipid bilayers",
	doi = "10.1021/ct200132n",
	keywords = "coarse graining; lipid bilayers",
	rating = "2",
	year = 2011
}

@Article{2011-Orilall-Wiesner,
	Author = "M. Christopher Orilall and Ulrich Wiesner",
	Title = "{Block copolymer based composition and morphology control in nanostructured hybrid materials for energy conversion and storage: solar cells, batteries, and fuel cells}",
	Journal = "Chem. Soc. Rev.",
	Volume = "40",
	Pages = "520–535",
	collection = "block copolymer nanocomposites",
	doi = "10.1039/c0cs00034e",
	keywords = "block copolymers; polymer nanocomposites",
	type = "Review",
	year = 2011
}

@Article{2011-Pan-HZL,
	Author = "Zhengquan Pan and Linli He and Linxi Zhang and Haojun Liang",
	Title = "{The dynamic behaviors of diblock copolymer/nanorod mixtures under equilibrium and nonequilibrium conditions}",
	Journal = "Polymer",
	Volume = "52",
	Pages = "2711–2721",
	collection = "block copolymer nanocomposites",
	doi = "10.1016/j.polymer.2011.04.012",
	keywords = "block copolymers; nanorods; polymer nanocomposites",
	methods = "DPD",
	year = 2011
}

@Article{2011-Pan-TZ,
	Author = "Qiangyong Pan and Chaohui Tong and Yuejin Zhu",
	Title = "{Self-consistent-field and hybrid particle-field theory simulation of confined copolymer and nanoparticle mixtures}",
	Journal = "ACS Nano",
	Volume = "51",
	Number = "1",
	Pages = "123–128",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nn101886x",
	keywords = "block copolymers; mesophase transitions; nanospheres",
	methods = "SCFT",
	rating = "1",
	read = "2011-11-25",
	year = 2011
}

@Article{2011-Park-Boker,
	Author = "Sungjune Park and Alexander Böker",
	Title = "{Ceramic nanowrinkles {\it via} a facile replication process}",
	Journal = "J. Mater. Chem.",
	Volume = "21",
	Pages = "11734",
	collection = "nanotechnology",
	doi = "10.1039/c1jm12007g",
	year = 2011
}

@Article{2011-Pavan-Shenhar,
	Author = "Mariela J. Pavan and Roy Shenhar",
	Title = "{Two-dimensional nanoparticle organization using block copolymer thin films as templates}",
	Journal = "J. Mater. Chem.",
	Volume = "21",
	Pages = "2028–2040",
	collection = "block copolymer nanocomposites",
	doi = "10.1039/c0jm02853c",
	rating = "2",
	read = "2012-10-10",
	year = 2011
}

@Article{2011-Pester-RSSLRSHCMUB,
	Author = "Christian W. Pester and Markus Ruppel and Heiko G. Schoberth and Kristin Schmidt and Clemens Liedel and Patrick {van Rijn} and Kerstin A. Schindler and Stephanie Hiltl and Thomas Czubak and Jimmy Mays and Volker S. Urban and Alexander Böker",
	Title = "{Piezoelectric properties of non-polar block copolymers}",
	Journal = "Adv. Mater.",
	Volume = "23",
	Pages = "4047–4052",
	collection = "block copolymers",
	doi = "10.1002/adma.201102192",
	year = 2011
}

@Article{2011-Pinna-PZ,
	Author = "Marco Pinna and Ignacio Pagonabarraga and Andrei V. Zvelindovsky",
	Title = "{Modeling of block copolymer/colloid hybrid composite materials}",
	Journal = "Macromol. Theory Simul.",
	Volume = "20",
	Number = "8",
	Pages = "769–779",
	collection = "block copolymer nanocomposites",
	doi = "10.1002/mats.201100047",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites",
	methods = "CDS/BD",
	year = 2011
}

@Article{2011-Potts-DBR,
	Author = "Jeffrey R. Potts and Daniel R. Dreyer and Christopher W. Bielawski and Rodney S. Ruoff",
	Title = "{Graphene-based polymer nanocomposites}",
	Journal = "Polymer",
	Volume = "52",
	Pages = "5–25",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.polymer.2010.11.042",
	keywords = "graphene; polymer nanocomposites",
	type = "Review",
	year = 2011
}

@Article{2011-Pross,
	Author = "Addy Pross",
	Title = "{Toward a general theory of evolution: extending Darwinian theory to inanimate matter}",
	Journal = "J. Systems Chem.",
	Volume = "2",
	Pages = "1",
	collection = "evolution",
	doi = "10.1186/1759-2208-2-1",
	keywords = "kinetics",
	rating = "2",
	read = "2015-02-10",
	year = 2011
}

@Article{2011-Qiao-DPB,
	Author = "Rui Qiao and Hua Deng and Karl W. Putz and L. Catherine Brinson",
	Title = "{Effect of particle agglomeration and interphase on the glass transition temperature of polymer nanocomposites}",
	Journal = "J. Polym. Sci. Pt. B-Polym. Phys.",
	Volume = "49",
	Pages = "740–748",
	collection = "polymer nanocomposites",
	doi = "10.1002/polb.22236",
	keywords = "nanoparticle aggregation; polymer nanocomposites",
	methods = "FE",
	rating = "2",
	year = 2011
}

@Article{2011-Reynwar-Deserno,
	Author = "Benedict J. Reynwar and Markus Deserno",
	Title = "{Membrane-mediated interactions between circular particles in teh strongly curved regime}",
	Journal = "Soft Matter",
	Volume = "7",
	Pages = "8567–8575",
	collection = "lipid bilayers",
	doi = "10.1039/c1sm05358b",
	keywords = "biological nanocomposites; lipid bilayers; nanospheres",
	methods = "CG MD",
	year = 2011
}

@Article{2011-Rezac-RH,
	Author = "Jan Řezáč and Kevin E. Riley and Pavel Hobza",
	Title = "{S66: A well-balanced databse of benchmark interaction energies relevant to biomolecular structures}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "7",
	Pages = "2427–2438",
	collection = "molecular interactions",
	doi = "10.1021/ct2002946",
	rating = "3",
	year = 2011
}

@Article{2011-Rezac-RH1,
	Author = "Jan Řezáč and Kevin E. Riley and Pavel Hobza",
	Title = "{Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries}",
	Journal = "J. Chem. Theory Comp.",
	Volume = "7",
	Number = "11",
	Pages = "3466–3470",
	collection = "molecular interactions",
	doi = "10.1021/ct200523a",
	rating = "2",
	systems = "S66",
	year = 2011
}

@Article{2011-Shan-KEDSS,
	Author = "Yibing Shan and Eric T. Kim and Michael P. Eastwood and Ron O. Dror and Markus A. Seeliger and David E. Shaw",
	Title = "{How does a drug molecule find its target binding site?}",
	Journal = "J. Am. Chem. Soc.",
	Volume = "133",
	Pages = "9181–9183",
	Note = "Shows unguided docking of ligand and inhibitor to PP1 protein.",
	collection = "molecular docking",
	doi = "10.1021/ja202726y",
	keywords = "molecular docking",
	methods = "MD",
	rating = "3",
	read = "2012-03-05",
	systems = "dasatinib@Src, PP1@Src",
	year = 2011
}

@Article{2011-Vijay-SS,
	Author = "Dolly Vijay and Hidehiro Sakurai and Narahari Sastry",
	Title = "{The impact of basis set superposition error on the structure of pi-pi dimers}",
	Journal = "Int. J. Quant. Chem.",
	Volume = "111",
	Number = "9",
	Pages = "1893–1901",
	collection = "basis set superposition",
	rating = "2",
	read = "2012-08-01",
	year = 2011
}

@Article{2011-Vogiatzis-VT,
	Author = "Georgios G. Vogiatzis and Evangelos Voyiatzis and Doros N. Theodorou",
	Title = "{Monte Carlo simulations of a coarse grained model for an athermal all-polystyrene nanocomposite system}",
	Journal = "Eur. Polym. J.",
	Volume = "47",
	Pages = "699–712",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.eurpolymj.2010.09.017",
	keywords = "nanospheres; polymer conformations; polymer nanocomposites",
	methods = "MC with mean fields",
	rating = "2",
	read = "2011-11-26",
	systems = "PS(cross-linked)@PS",
	year = 2011
}

@Article{2011-Vorselaars-KCFM,
	Author = "Bart Vorselaars and Jaeup U. Kim and Tanya L. Chantawansri and Glenn H. Fredrickson and Mark W. Matsen",
	Title = "{Self-consistent field theory for diblock copolymers grafted to a sphere}",
	Journal = "Soft Matter",
	Volume = "7",
	Pages = "5128–5137",
	collection = "nanoparticles",
	doi = "10.1039/c0sm01242d",
	keywords = "nanoparticle grafts",
	methods = "SCFT",
	year = 2011
}

@Article{2011-Woelfle-OT,
	Author = "Michael Woelfle and Piero Olliaro and Matthew H .Todd",
	Title = "{Open science is a research accelerator}",
	Journal = "Nature Chem.",
	Volume = "3",
	Pages = "745–748",
	Note = "Page 748: (...) if we wish to reach scientific goals quickly, why is so much science not practised this way?",
	collection = "cheminformatics",
	doi = "10.1038/nchem.1149",
	keywords = "electronic lab notebook; open data",
	rating = "2",
	read = "2013-04-10",
	systems = "praziquantel",
	type = "Commentary",
	year = 2011
}

@Article{2011-Yoo-KJCYKLKB,
	Author = "Misang Yoo and Seyong Kim and Se Gyu Jang and Soo-Hyong Choi and Hyunseung Yang and Edward J. Kramer and Won Bo Lee and Bumjoon J. Kim and Joona Bang",
	Title = "{Controlling the orientation of block copolymer thin films using thermally-stable gold nanoparticles with tuned surface chemistry}",
	Journal = "Macromolecules",
	Volume = "44",
	Number = "23",
	Pages = "9356–9365",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/ma2019254",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites; thin films",
	year = 2011
}

@Article{2011-Zhang-SS,
	Author = "Liangshun Zhang and G. J. Agur Sevink and Friederike Schmid",
	Title = "{Hybrid lattice Boltzmann/dynamic self-consistent field simulations of microphase separation and vesicle formation in block copolymer systems}",
	Journal = "Macromolecules",
	Volume = "44",
	Number = "23",
	Pages = "9434–9447",
	collection = "block copolymers",
	doi = "10.1021/ma2018638",
	keywords = "block copolymers",
	methods = "LB",
	year = 2011
}

@Article{2012-Allesina,
	Author = "Stefano Allesina",
	Title = "{Modeling peer review: an agent-based apporach}",
	Journal = "Ideas in Ecology and Evolution",
	Volume = "5",
	Number = "2",
	Pages = "27–35",
	collection = "scientometrics",
	doi = "10.4033/iee.2012.5b.8.f",
	keywords = "peer review",
	methods = "agent-based modeling",
	rating = "2",
	read = "2013-02-06",
	year = 2012
}

@Article{2012-Alvarez-Yan,
	Author = "Marco A. Alvarez and Changhui Yan",
	Title = "{A new protein graph model for function prediction}",
	Journal = "Comp. Biol. Chem.",
	Volume = "37",
	Pages = "6–10",
	Note = "Interesting idea, but only applied to discriminating enzymes from non-enzymes and a generic functional feature (DNA-binding).",
	collection = "proteins",
	doi = "10.1016/j.compbiolchem.2012.01.003",
	keywords = "protein function",
	rating = "2",
	read = "2013-10-08",
	year = 2012
}

@Article{2012-Bernard,
	Author = "H. Russell Bernard",
	Title = "{The science in social science}",
	Journal = "Proc. Natl. Acad. Sci.",
	Note = "Contains plenty of valuable references to the origins of statistical methods.",
	collection = "statistics",
	doi = "10.1073/pnas.1218054109",
	year = 2012
}

@Article{2012-Biswas-Datta,
	Author = "Nupur Biswas and Alokmay Datta",
	Title = "{Polymer entanglement - a barrier to nanoparticles aggregation}",
	Journal = "Chem. Phys. Lett.",
	Volume = "531",
	Pages = "177–182",
	collection = "polymer nanocomposites",
	doi = "10.1016/j.cplett.2012.02.029",
	keywords = "nanoparticle aggregation; nanospheres; polymer entanglement; thin films",
	methods = "TEM, AFM, EDX",
	rating = "2",
	read = "2012-05-25",
	systems = "Au-dodecanethiol@PS",
	year = 2012
}

@Article{2012-Borhani-Shaw,
	Author = "David W. Borhani and David E. Shaw",
	Title = "{The future of molecular dynamics simulations in drug discovery}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "15–26",
	Note = "Page 20: Of great interest will be hte computational assembly of macromolecules. Page 21: Simple fixes - (...) replacement of point charges by smeared charges of some form (e.g., multipoles, exponentials, Gaussian). Page 21: The more advanced force fields of today appear to work well in limited cases. Page 21: Do we really need to compute electrostatic interactions from one end to the other?",
	collection = "molecular dynamics",
	doi = "10.1007/s10822-011-9517-y",
	keywords = "drug discovery",
	methods = "MD",
	rating = "2",
	read = "2012-02-24",
	year = 2012
}

@Article{2012-Clark-Waldman,
	Author = "Robert D. Clark and Marvin Waldman",
	Title = "{Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "29–34",
	Note = "Pertinent discussion about entropy, uncertainty as well as data curation and databases.",
	collection = "cheminformatics",
	doi = "10.1007/s10822-011-9504-3",
	keywords = "databases",
	rating = "2",
	read = "2012-08-10",
	year = 2012
}

@Article{2012-Dill-MacCallum,
	Author = "Ken A. Dill and Justin L. MacCallum",
	Title = "{The protein-folding problem, 50 years on}",
	Journal = "Science",
	Volume = "338",
	Pages = "1042–1046",
	Note = "No real new information, but a well written terse review about the major points and things to do in protein folding.",
	collection = "protein structure",
	doi = "10.1126/science.1219021",
	keywords = "protein structure",
	rating = "2",
	read = "2013-02-14",
	type = "Review",
	year = 2012
}

@Article{2012-Domingos,
	Author = "Pedro Domingos",
	Title = "{A few useful things to know about machine learning}",
	Journal = "Commun. ACM",
	Volume = "55",
	Pages = "78–87",
	collection = "informatics",
	doi = "10.1145/2347736.2347755",
	keywords = "machine learning",
	rating = "3",
	read = "2015-04-15",
	type = "Review",
	year = 2012
}

@Article{2012-Feng-SSC,
	Author = "Lang Feng and Roujie Sha and Nadrian C. Seeman and Paum M. Chaikin",
	Title = "{Topological interaction by entangled DNA loops}",
	Journal = "Phys. Rev. Lett.",
	Volume = "109",
	Pages = "188301",
	collection = "nucleic acids",
	doi = "10.1103/PhysRevLett.109.188301",
	keywords = "nanoparticles; grafting",
	rating = "2",
	read = "2012-12-10",
	year = 2012
}

@Article{2012-Furnham-BT,
	Author = "Nicholas Furnham and Tjaart A. P. {de Beer} and Janet M. Thornton",
	Title = "{Current challenges in genome annotation through structural biology and bioinformatics}",
	Journal = "Curr. Op. Struct. Biol.",
	Volume = "22",
	Pages = "594–601",
	Note = "Highlights the current reliance and increasing leverage of experimental data in computational genomics, and the importance of context. Page 695: (...) using the human genome as an example, of the 5462 entries in the PDB that contain a non-redundant human protein structure, some 12\% (694) have one or more small molecules/ligands/small peptide co-crystallized.",
	collection = "proteins",
	doi = "10.1016/j.sbi.2012.07.005",
	keywords = "protein function; protein annotation; homology",
	rating = "2",
	read = "2013-10-16",
	year = 2012
}

@Article{2012-Genheden-Ryde,
	Author = "Samuel Genheden and Ulf Ryde",
	Title = "{Will molecule dynamics simulations of proteins ever reach equilibrium?}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "14",
	Pages = "8662–8677",
	Note = "... it is not possible to obtain converged conformational entropies of any usable precision. (...) it shows that most MD simualtiosn of proteins will not be equilibrated within 1 ms in the sense that all properties are independent of simulation time. We show that the conformational entropies are extremely sensitive to the equilibration (...) FEP free energies are extremely stable.",
	collection = "molecular dynamics",
	doi = "10.1039/c2cp23961b",
	keywords = "molecular dynamics; protein structure",
	methods = "MD; FEP",
	rating = "2",
	read = "2013-12-10",
	year = 2012
}

@Article{2012-Gordon-FPS,
	Author = "Mark S. Gordon and Dmitri G. Fedorov and Spencer R. Pruit and Lyudmila V. Slipchenko",
	Title = "{Fragmentation methods: a route to accurate calculations on large systems}",
	Journal = "Chem. Rev.",
	Volume = "112",
	Pages = "632–672",
	collection = "molecular fragmentation",
	doi = "10.1021/cr200093j",
	methods = "EFP, FMO, MFCC, MTA, SFM",
	rating = "2",
	read = "2012-08-28",
	year = 2012
}

@Article{2012-Hyman-Simons,
	Author = "Anthony A. Hyman and Kai Simons",
	Title = "{Beyond oil and water - phase transitions in cells}",
	Journal = "Science",
	Volume = "337",
	Pages = "1047–1049",
	collection = "cells",
	doi = "10.1126/science.1223728",
	keywords = "phase transitions",
	rating = "2",
	read = "2013-06-20",
	year = 2012
}

@Article{2012-Kao-BCJEX,
	Author = "Joseph Kao and Peter Bai and Vivian Chuang and Zhang Jiang and Peter Ercius and Ting Xu",
	Title = "{Nanoparticle assemblies in thin films of supramolecular nanocomposites}",
	Journal = "Nano Lett.",
	Volume = "12",
	Pages = "2610–2618",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/nl300999u",
	rating = "2",
	read = "2012-07-01",
	year = 2012
}

@Article{2012-Karr-SMGJBAGC,
	Author = "Jonathan R. Karr and Jayodita C. Sanghvi and Derek N. Macklin and Miriam V. Gutschow and Jared M. Jacobs and Benjamin Bolival and Bacyra Assad-Garcia and John I. Glass and Markus W. Covert",
	Title = "{A whole-cell computational model predicts phenotype from genotype}",
	Journal = "Cell",
	Volume = "150",
	Pages = "389–401",
	collection = "cells",
	doi = "10.1016/j.cell.2012.05.044",
	rating = "3",
	read = "2013-08-02",
	year = 2012
}

@Article{2012-Kenny,
	Author = "Peter W. Kenny",
	Title = "{Computation, experiment and molecular design}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "69–72",
	Note = "Page 70: (...) and I like to think of the hydrophobic force as a non-local, indirect, electrostatic interaction.",
	collection = "cheminformatics",
	doi = "10.1007/s10822-011-9515-0",
	rating = "2",
	read = "2012-10-03",
	year = 2012
}

@Article{2012-Kostjukov-Evstigneev,
	Author = "Viktor V. Kostjukov and Maxim P. Evstigneev",
	Title = "{Relation between the change in DNA elasticity on ligand binding and the binding energetics}",
	Journal = "Phys. Rev. E",
	Volume = "86",
	Pages = "031919",
	collection = "nucleic acid drugs",
	doi = "10.1103/PhysRevE.86.031919",
	rating = "2",
	read = "2012-09-23",
	url = "http://link.aps.org/doi/10.1103/PhysRevE.86.031919",
	year = 2012
}

@Article{2012-Kramer-GM,
	Author = "Christian Kramer and Peter Gedeck and Markus Meuwly",
	Title = "{Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformation dependence}",
	Journal = "J. Comp. Chem.",
	Volume = "33",
	Pages = "1673–1688",
	collection = "molecular electrostatics",
	year = 2012
}

@Article{2012-Kulp-SDHMGS,
	Author = "Daniel W. Kulp and Sabareesh Subramaniam and Jason E. Donald and Brett T. Hannigan and Benjamin K. Meuller and Gevorg Grigoryan and Alessandro Senes",
	Title = "{Structural informatics, modeling, and design with an open-source molecular software library (MSL)}",
	Journal = "J. Comp. Chem.",
	Volume = "33",
	Pages = "1645–1661",
	collection = "cheminformatics",
	doi = "10.1002/jcc.22968",
	methods = "C++",
	rating = "2",
	read = "2012-10-16",
	year = 2012
}

@Article{2012-Liebeschuetz-HOG,
	Author = "John Liebescheutz and Jana Hennemann and Tjelvar Olsson and Colin R. Groom",
	Title = "{The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "169–183",
	Note = "Page. 169: when we talk about structure we are, of course, really discussing models. (...) correctly interpreting the electorn density in and around the protein binding site is far from being a straightforward task.",
	collection = "protein structure",
	doi = "10.1007/s10822-011-9538-6",
	rating = "2",
	read = "2013-01-25",
	year = 2012
}

@Article{2012-Martin-HYMGZT,
	Author = "Todd M. Martin and Paul Harten and Douglas M. Young and Eugene N. Muratov and Alexander Golbraih and Hao Zhu and Alexander Tropsha",
	Title = "{Does rational selection of training and test sets improve the outcome of QSAR modeling?}",
	Journal = "J. Chem. Inf. Model.",
	Volume = "52",
	Pages = "2570–2578",
	Note = "The general answer is no. Noel O'Boyle also blogged about this (http://baoilleach.blogspot.nl/2012/10/a-non-random-method-to-improve-your.html).",
	collection = "cheminformatics",
	doi = "10.1021/ci300338w",
	rating = "3",
	read = "2013-01-10",
	year = 2012
}

@Article{2012-Martin-Muchmore,
	Author = "Yvonne C. Martin and Steven W. Muchmore",
	Title = "{Frozen out: molecular modeling in the age of cryocrystallography}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "91–92",
	Note = "Page 91: (...) the inherent flexibility of the protein structure, and its energy landscape, is not readily apparent from the seductive molecular graphics rendering of crystallographic results.",
	collection = "proteins",
	doi = "10.1007/s10822-011-9537-7",
	keywords = "cryocrystallography; flexibility",
	rating = "2",
	read = "2013-06-28",
	year = 2012
}

@Article{2012-Phadungsukanan-KTM,
	Author = "Weerapong Phadungsukanan and Markus Kraft and Joe A. Townsend and Peter Murray-Rust",
	Title = "{The semantics of chemical markup language (CML) for computational chemistry: CompChem}",
	Journal = "J. Cheminf.",
	Volume = "4",
	Pages = "15",
	collection = "cheminformatics",
	doi = "10.1186/1758-2946-4-15",
	keywords = "parsing",
	rating = "2",
	read = "2014-01-28",
	year = 2012
}

@Article{2012-Rabinovich-ABV,
	Author = "Mikhail I. Rabinovich and Valentin S. Afraimovich and Christian Bick and Pablo Varona",
	Title = "{Information flow dynamics in the brain}",
	Journal = "Physics of Life Reviews",
	Volume = "9",
	Pages = "51–73",
	Note = "The math is not very clear, but provides a good overview and entry points to more detailed literature.",
	collection = "neuroscience",
	doi = "10.1016/j.plrev.2011.11.002",
	keywords = "information creation; information flow; mental disorders; heteroclinic channel",
	rating = "2",
	read = "2013-10-05",
	year = 2012
}

@Article{2012-Rarey,
	Author = "Matthias Rarey",
	Title = "{Some thoughts on the 'A' in computer-aided molecular design}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "113–114",
	Note = "Comments on the simplicity/complexity of molecular design, automation and the need for understanding intermolecular interactions.",
	collection = "cheminformatics",
	doi = "10.1007/s10822-011-9507-0",
	keywords = "automation; noncovalent interactions",
	rating = "1",
	read = "2013-06-28",
	year = 2012
}

@Article{2012-Schneider,
	Author = "GIsbert Schneider",
	Title = "{Designing the molecular future}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "115–120",
	Note = "Page 117: We must not forget that our understanding of the physical forces governing ligand-receptor interaction is incomplete, and gaining a decimal point in computational precision is meaningless if insufficient models are used. Page 118: Structural novelty combined with synthetic feasability might be more important than actual bioactivity, which can often be increased by means of medicinal chemistry. (...) The primary aim of de novo design tools is to fuel the creativity of chemistry by making surprising and innovative suggestions.",
	collection = "cheminformatics",
	doi = "10.1007/s10822-011-9485-2",
	keywords = "drug design",
	rating = "2",
	read = "2013-08-20",
	year = 2012
}

@Article{2012-Shumilin-CCJHLJM,
	Author = "Igor A. Shumilin and Marcin Cymborowski and Olga Chertihin and Kula N. Jha and John C. Herr and Scott A. Lesley and Andrzej Joachimiak and Wladek Minor",
	Title = "{Identification of unknown protein function using metabolite cocktail screening}",
	Journal = "Structure",
	Volume = "20",
	Pages = "1–11",
	collection = "proteins",
	doi = "10.1016/j.str.2012.07.016",
	keywords = "protein function",
	rating = "2",
	read = "2013-08-02",
	year = 2012
}

@Article{2012-Singh-YBKK,
	Author = "Gurpreet Singh and Kevin G. Yager and Brian Berry and Ho-Cheol Kim and Alamgir Karim",
	Title = "{Gradient soft-shear for highly oriented block coplymer thin films}",
	Journal = "ACS Nano",
	Volume = "6",
	Number = "11",
	Pages = "10335–10342",
	Note = "This one describes an indirect use of thermal fields on BCP films.",
	collection = "block copolymers",
	doi = "10.1021/nn304266f",
	keywords = "alignment; soft shear; thermal fields; thin films",
	methods = "AFM, CZA-SS, SAXS",
	rating = "2",
	read = "2013-09-10",
	systems = "PS-PMMA",
	year = 2012
}

@Article{2012-Singh-YSKBK,
	Author = "Gurpreet Singh and Kevin G. Yager and Detlef-M. Smilgies and Manish M. Kulkarni and David G. Bucknall and Alamgir Karim",
	Title = "{Tuning molecular relaxation for vertical orientation in cylindrical block copolymer films via sharp dynamic zone annealing}",
	Journal = "Macromolecules",
	Volume = "45",
	Pages = "7107–7117",
	Note = "Focuses on on thermal field profile (sharp for vertical standing cylinders, broad for parallel ones); also, different substrates.",
	collection = "block copolymers",
	doi = "10.1021/ma301004j",
	keywords = "alignment; thermal fields; thin films",
	methods = "AFM, CZA, SAXS",
	rating = "2",
	read = "2013-09-10",
	systems = "PS-PMMA",
	year = 2012
}

@Article{2012-Stouch,
	Author = "Terry R. Stouch",
	Title = "{The errors of our ways: takign account of error in computer-aided drug design to build confidence intervals for our next 25 years}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "125–124",
	Note = "Several notable rough numbers inside. Page 127: (...) a difference of less than 6 kcal/mol in binding energy. The entire drug design effort operates in this range of energy. (...) The key numbers to remember as important goals are 6 and 0.5 kcal/mol, the total range of interest and the smallest unit of action.",
	collection = "cheminformatics",
	doi = "10.1007/s10822-012-9541-6",
	keywords = "error analysis; docking",
	rating = "3",
	read = "2013-09-26",
	year = 2012
}

@Article{2012-Woltosz,
	Author = "Walter S. Woltosz",
	Title = "{If we designed airplanes like we design drugs...}",
	Journal = "J. Comput.-Aided Mol. Des.",
	Volume = "26",
	Pages = "159–163",
	Note = "Page 161: (...) the vast number of possible interactions among atoms within molecules and between molecules and their environments make it highly unlikely that humankind will derive purely mechanistic (and quantum) methods for predicting most properties from structure with experimental accuracy in the forseeable future.",
	collection = "cheminformatics",
	doi = "10.1007/s10822-011-9490-5",
	rating = "2",
	read = "2012-10-03",
	year = 2012
}

@Article{2013-Berry-SKK,
	Author = "Brian C. Berry and Gurpreet Singh and Ho-Cheol Kim and Alamgir Karim",
	Title = "{Highly aligned block copolymer thin films by synergistic coupling of static graphoepitaxy and dynamic thermal annealing fields}",
	Journal = "ACS Macro Lett.",
	Volume = "2",
	Pages = "346–350",
	Note = "Perhaps suggests the it will be necessary to couple more than two promotors of alignment in order to make BCP patterns industrially viable.",
	collection = "block copolymers",
	doi = "10.1021/mz400054y",
	keywords = "alignment; graphoepitaxy, thermal fields; thin films",
	methods = "AFM, CZA",
	rating = "2",
	read = "2013-09-10",
	systems = "PS-PMMA",
	year = 2013
}

@Article{2013-Burke-Wagner,
	Author = "Kieron Burke and Lucas O. Wagner",
	Title = "{DFT in a nutshell}",
	Journal = "Int. J. Quantum Chem.",
	Volume = "113",
	Pages = "96–101",
	Note = "Very short summary of the main ideas of modern DFT, although maybe is not the best for beginners.",
	collection = "quantum chemistry",
	doi = "10.1002/qua.24259",
	keywords = "density functional theory",
	rating = "2",
	read = "2013-01-06",
	year = 2012
}

@Article{2013-Frenkel,
	Author = "Daan Frenkel",
	Title = "{Simulations: the dark side}",
	Journal = "Eur. Phys. J. Plus",
	Volume = "128",
	Pages = "10",
	Note = "Discusses a number of aspects of simulations underrepresented in the literature, with some good statistical mechanics notes about barrier hieghts.",
	collection = "statistical mechanics",
	doi = "10.1140/epjp",
	keywords = "molecular dynamics; Monte Carlo; simulations; periodic boundaries; energy barriers",
	rating = "3",
	read = "2013-08-14",
	year = 2013
}

@Article{2013-He-Chen,
	Author = "Zhaojian He and Shi-Jie Chen",
	Title = "{Quantifying Coulombic and solvent polarization-mediated forces between DNA helices}",
	Journal = "J. Phys. Chem. B",
	Pages = "7221–7227",
	collection = "nucleic acids",
	doi = "10.1021/jp4010955",
	keywords = "folding",
	methods = "Born model",
	rating = "2",
	read = "2013-01-01",
	year = 2013
}

@Article{2013-Hinton-Salakhutdinov,
	Author = "G. E. Hinton and R. R. Salakhutdinov",
	Title = "{Reducing the dimensionality of data with neural networks}",
	Journal = "Science",
	Volume = "313",
	Pages = "504–507",
	collection = "informatics",
	doi = "10.1126/science.1127647",
	keywords = "neural network",
	rating = "2",
	read = "2015-02-05",
	year = 2013
}

@Article{2013-Kolodny-PSL,
	Author = "Rachel Kolodny and Leonid Pereyalavets and Abraham O. Samson and Michael Levitt",
	Title = "{On the universe of protein folds}",
	Journal = "Annu. Rev. Biophys.",
	Volume = "42",
	Pages = "559–582",
	Note = "Well written outline of the current world of folds.",
	collection = "protein structure",
	doi = "10.1146/annurev-biophys-083012-130432",
	rating = "2",
	read = "2013-06-02",
	year = 2013
}

@Article{2013-Persson-Kallberg,
	Author = "Bengt Persson and Yvonne Kallberg",
	Title = "{Classification and nomenclature of the superfamily of short-chain dehydrogenases/reductases (SDRs)}",
	Journal = "Chemico-Biological Interactions",
	Volume = "202",
	Pages = "111–115",
	Note = "Close to definitive SDR classification (number of families is saturating) with some technical discussion on the scheme",
	collection = "proteins",
	doi = "10.1016/j.cbi.2012.11.009",
	rating = "2",
	read = "2013-09-09",
	systems = "SDR",
	url = "http://www.sdr-enzymes.org",
	year = 2013
}

@Article{2013-Ridder-VV,
	Author = "Dirk De Ridder and Jan Verplaetse and Sven Vanneste",
	Title = "{The predictive brain and the 'free will' illusion}",
	Journal = "Front. Psychol.",
	Volume = "4",
	Number = "131",
	Note = "Intruiging comments about the evolutionary basis of the experience of free will.",
	collection = "neuroscience",
	doi = "10.3389/fpsyg.2013.00131",
	rating = "2",
	read = "2013-06-19",
	type = "Commentary",
	year = 2013
}

@Article{2013-Singh-BZYYCBK,
	Author = "Gurpreet Singh and Saurabh Betra and Ren Zhang and Hongyi Yuan and Kevin G. Yager and Miko Cakmak and Brian Berry and Alamgir Karim",
	Title = "{Large-scale roll-to-roll fabrication of vertically oriented block copolymer thin films}",
	Journal = "ACS Nano",
	Volume = "7",
	Number = "6",
	Pages = "5291–5299",
	Note = "Impressive demonstration of 70x1 ft sheets of hexagonally ordered BCP cylinders.",
	collection = "block copolymers",
	doi = "10.1021/nn401094s",
	keywords = "alignment; nanotechnology; thermal fields; thin films",
	methods = "AFM, CZA-S",
	rating = "2",
	read = "2013-09-10",
	systems = "PS-PMMA",
	year = 2013
}

@Article{2013-Sponer-SMJBO,
	Author = "Jiří Šponer and Judit E. Šponer and Arnost Mladek and Petr Jurečka and Pavel Banas and Michal Otyepka",
	Title = "{Nature and magnitude of aromatic base stacking in DNA and RNA: quantum chemistry, molecular mechanics, and experiment}",
	Journal = "Biopolymers",
	Volume = "99",
	Number = "12",
	Pages = "978–988",
	Note = "Page 986: We suggest that to make real step forward requires to attempt stacking computations in the context of complete nucleic acids build blocks, i.e., with inclusion of the sugar-phosphate backbone.",
	collection = "molecular stacking",
	doi = "10.1002/bip.22322",
	keywords = "aromatic stacking",
	rating = "2",
	read = "2014-02-10",
	type = "Review",
	year = 2013
}

@Article{2013-Szegedy-ZSBEGF,
	Author = "Christian Szegedy and Wojciech Zaremba and Ilya Sutskever and Joan Bruna and Dumitru Erhan and Ian J. Goodfellow and Rob Fergus",
	Title = "{Intriguing properties of neural networks}",
	Journal = "ArXiv e-prints",
	archiveprefix = "arXiv",
	collection = "informatics",
	eprint = "1312.6199",
	keywords = "neural network",
	primaryclass = "cs.CV",
	rating = "2",
	read = "2014-02-08",
	url = "http://arxiv.org/abs/1312.6199",
	year = 2013
}

@Article{2013-Takahashi-OFYKWYITMKK,
	Author = "Sachiko Takahashi and Kazunori Ohta and Naoki Furubayashi and Bin Yan and Misako Koga and Yoshio Wada and Mitsugu Yamada and Koji Inaka and Hiroaki Tanaka and Hiroshi Miyoshi and Tomoyuki Kobayashi and Shigeki Kamigachi",
	Title = "{JAXA protein crystallization in space: ongoing improvements for growing high-quality crystals}",
	Journal = "J. Synchrotron Rad.",
	Volume = "20",
	Pages = "968–973",
	collection = "crystallography",
	doi = "10.1107/S0909049513021596",
	keywords = "protein crystallization; microgravity",
	rating = "2",
	read = "2014-04-04",
	year = 2013
}

@Article{2014-Cardamone-HP,
	Author = "Salvatore Cardamone and Timothy J. Hughes and Paul L. A. Popelier",
	Title = "{Multipolar electrostatics}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "16",
	Pages = "10367",
	collection = "molecular electrostatics",
	doi = "10.1039/C3CP54829E",
	rating = "2",
	read = "2014-09-10"
}

@Article{2014-Chwastyk-JC,
	Author = "Mateusz Chwastyk and Mariusz Jaskolski and Marek Cieplak",
	Title = "{Structure-based analysis of thermodynamic and mechanical properties of cavity-containing proteins - case study of plant pathogenesis-related proteins of class 10}",
	Journal = "FEBS Journal",
	Volume = "281",
	Pages = "416–429",
	Note = "(...) a novel algorithm, which involves placing spherical probes on a grid of points.",
	collection = "protein structure",
	doi = "10.1111/febs.12611",
	keywords = "cavity; protein",
	rating = "1",
	read = "2014-01-24",
	url = "http://www.ifpan.edu.pl/~chwastyk/spaceball",
	year = 2014
}

@Article{2014-Dyguda-Kazimierowicz-RS,
	Author = "Edyta Dyguda-Kazimierowicz and Szczepan Roszak and W. Andrzej Sokalski",
	Title = "{Alkaline hydrolysis of organophosphorus pesticides: the dependence of the reaction mechanism on the incoming group conformation}",
	Journal = "J. Phys. Chem. B",
	Volume = "118",
	Pages = "7277–7289",
	collection = "molecular reactions",
	year = 2014
}

@Article{2014-Fresch-Remacle,
	Author = "Barbara Fresch and F. Remacle",
	Title = "{Atomistic account of structural and dynamical changes induced by small binders in the double helix of a short DNA}",
	Journal = "Phys. Chem. Chem. Phys.",
	Volume = "16",
	Pages = "14070–14082",
	collection = "nucleic acid intercalation",
	doi = "10.1039/c4cp01561d",
	keywords = "ethidium",
	methods = "MD",
	rating = "2",
	read = "2015-04-14",
	systems = "Hoaechst; ethidium",
	year = 2014
}

@Article{2014-Guss-McMahon,
	Author = "J. Mitchell Guss and Brian McMahon",
	Title = "{How to make deposition of images a reality}",
	Journal = "Acta Cryst. D",
	Volume = "70",
	Pages = "2520–2532",
	collection = "crystallography",
	doi = "10.1107/S1399004714005185",
	keywords = "diffraction images",
	rating = "2",
	read = "2014-10-29",
	year = 2014
}

@Article{2014-Jakobsen-Jensen,
	Author = "Sofie Jakobsen and Frank Jensen",
	Title = "{Systematic improvement of potential-derived atomic multipoles and redundancy of the electrostatic parameter space}",
	Journal = "J. Chem. Theory Comput.",
	Volume = "10",
	Pages = "5493–5504",
	collection = "molecular electrostatics",
	doi = "10.1021/ct500803r",
	keywords = "multipole moments; molecular electrostatic potential",
	notes = "Anisotropic and polarization effects seem to be of similar importance for reproducing the MEP on the vdW surface. Added multipole moments on atoms can improve anisotropic the features. The number of atomic charges and moments necessary to reproduce the MEP within 5-10\% is only a fraction of the full set, which means the parameters space of population analyses is near-redundant.",
	rating = "3",
	read = "2015-04-22",
	year = 2014
}

@Article{2014-Kell-Goodacre,
	Author = "Douglas B. Kell and Royston Goodacre",
	Title = "{Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery}",
	Journal = "Drug Discovery Today",
	Volume = "19",
	Pages = "171–182",
	Note = "Page 173: (...) the increasing recognition that pharmaceutical drugs also get into and out of cells by 'hitchhiking' on such transporters, and not - to any significant extent - by passing though phospholipid bilayer portions of cellular membranes.",
	collection = "metabolism",
	doi = "10.1016/j.drudis.2013.07.014",
	keywords = "metabolomics",
	rating = "2",
	read = "2014-04-30",
	year = 2014
}

@Article{2014-Khafizov-MAF,
	Author = "Kamil Khafizov and Carlos Madrid-Aliste and Steven Almo and Andras Fiser",
	Title = "{Trends in structural covreage of the protein universe and the impact of the Protein Structure Initiative}",
	Journal = "Proc. Natl. Acad. Sci.",
	Volume = "111",
	Number = "10",
	Pages = "3733–3738",
	collection = "protein structure",
	doi = "10.1073/pnas.1321614111",
	keywords = "protein structure",
	rating = "2",
	read = "2014-04-04",
	year = 2014
}

@Article{2014-Kramer-SL,
	Author = "Christian Kramer and Alexander Spinn and Klaus R. Liedl",
	Title = "{Charge anisotropy: where atomic multipoles matter most}",
	Journal = "J. Chem. Theory Comput.",
	Volume = "10",
	Pages = "4488–4496",
	collection = "molecular electrostatics",
	rating = "2",
	read = "2015-04-20",
	year = 2014
}

@Article{2014-Kroon-Batenburg-Helliwell,
	Author = "Loes M. J. Kroon-Batenburg and John R. Helliwell",
	Title = "{Experiences with making diffraction iamge data available: what metadata do we need to archive?}",
	Journal = "Acta Cryst. D",
	Volume = "70",
	Pages = "2502–2509",
	collection = "crystallography",
	doi = "10.1107/S1399004713029817",
	keywords = "diffraction image; data archiving",
	rating = "2",
	read = "2014-10-13",
	year = 2014
}

@Article{2014-Majorek-KCAM,
	Author = "Karolina A. Majorek and Misty L. Kuhn and Maksymilian Chruszcz and Wayne F. Anderson and Wladek Minor",
	Title = "{Double trouble - buffer selection and His-tag presence may be responsible for nonreproducibility of iomoedical experiments}",
	Journal = "Protein Sci.",
	Volume = "23",
	Pages = "1359-1368",
	collection = "proteins",
	doi = "10.1002/pro.2520",
	keywords = "reproducibility",
	rating = "2",
	read = "2015-05-11",
	systems = "acetyltransferase; GNAT; polyhistidine; HEPES",
	year = 2014
}

@Article{2014-McPherson-Gavira,
	Author = "Alexander McPherson and Jose A. Gavira",
	Title = "{Introduction to protein crystallization}",
	Journal = "Acta Cryst. F",
	Volume = "70",
	Pages = "2–20",
	collection = "crystallography",
	doi = "10.1107/S2053230X13033141",
	keywords = "protein crystallography; protein crystallization",
	rating = "2",
	read = "2014-06-03",
	year = 2014
}

@Article{2014-Meyer-AMCMBGQBBA,
	Author = "Grischa R. Meyer and David Aragão and Nathan J. Mudie and Tom T. Caradoc-Davies and Sheena McGowan and Philip J. Bertling and David Groenewegen and Stevan M. Quenette and Charles S. Bond and Ashley M. Buckle and Steve Androulakis",
	Title = "{Operation of the Australian Store.Synchrotron for macromolecular crystallography}",
	Journal = "Acta. Cryst. D",
	Volume = "70",
	Pages = "2510–2519",
	collection = "crystallography",
	doi = "10.1107/S1399004714016174",
	keywords = "diffraction images",
	rating = "2",
	read = "2014-10-08",
	year = 2014
}

@Article{2014-Ouyang-CB,
	Author = "John F. Ouyang and Milan W. Cvitkovic and Ryan P. A. Bettens",
	Title = "{Trouble with the many-body expansion}",
	Journal = "J. Chem. Theory Comput.",
	Volume = "10",
	Pages = "3699–3707",
	collection = "molecular interactions",
	doi = "10.1021/ct500396b",
	methods = "BSSE; RHF; MBE; MP2",
	notes = "Rapid convergence of the four-body term of the MBE cannot be assumed, even if convergence appears to have occurred. It is best to use the full cluster basis set or at least AVTZ quality basis sets consistently.",
	rating = "3",
	read = "2015-04-17",
	systems = "water clustrs; (H2O)16",
	year = 2014
}

@Article{2014-Sevink-Fraaije,
	Author = "G. J. A. Sevink and J. G. E. M. Fraaije",
	Title = "{Efficient solvent-free dissipative particle dynamics for lipid bilayers}",
	Journal = "Soft Matter",
	Volume = "10",
	Pages = "5129–5146",
	collection = "lipid bilayers",
	doi = "10.1039/c4sm00297k",
	keywords = "implicit solvent; vesicles; liposomes",
	methods = "DPD",
	rating = "2",
	read = "2014-10-10",
	year = 2014
}

@Article{2014-Terwilliger,
	Author = "Thomas C. Terwilliger",
	Title = "{Archiving raw crystallographic data}",
	Journal = "Acta. Cryst. D",
	Volume = "70",
	Pages = "2500–2501",
	collection = "crystallography",
	doi = "10.1107/S139900471402118X",
	keywords = "diffraction images",
	rating = "2",
	read = "2014-10-06",
	year = 2014
}

@Article{2014-Terwilliger-Bricogner,
	Author = "Thomas C. Terwilliger and Gerard Bricogne",
	Title = "{Continuous mutual improvement of macromolecular structure models in the PDB and of X-ray crystallographic software: the dual role of deposited experimental data}",
	Journal = "Acta. Cryst. D",
	Volume = "70",
	Pages = "2533–2543",
	collection = "crystallography",
	doi = "10.1107/S1399004714017040",
	keywords = "protein data bank; data management; protein crystallography; diffraction images",
	rating = "3",
	read = "2014-10-09",
	year = 2014
}

@Article{2014-Tong-Sibener,
	Author = "Qjanqian Tong and S. J. Sibener",
	Title = "{Electric-field-induced control and switching of block copolymer dmain orientations in nanoconfined channel architectures}",
	Journal = "J. Phys. Chem. C",
	Volume = "118",
	Pages = "13752–13756",
	collection = "block copolymer nanocomposites",
	doi = "10.1021/jp505677f",
	keywords = "electric field; switching; degenerate structures",
	rating = "2",
	read = "2015-04-12",
	year = 2014
}

@Article{2014-Vinyals-KKPSH,
	Author = "Oriol Vinyals and Lukasz Kaiser and Terry Koo and Slav Petrov and Ilya Sutskever and Geoffrey Hinton",
	Title = "{Grammar as a foreign language}",
	Journal = "ArXiv e-prints",
	archiveprefix = "arXiv",
	collection = "informatics",
	eprint = "1412.7449",
	keywords = "neural network; deep learning",
	primaryclass = "cs.CL",
	rating = "2",
	read = "2015-01-20",
	year = 2014
}

@Article{2014-Zheng-CCCMSM,
	Author = "Heping Zheng and Mahendra D. Chordia and David R. Cooper and Maksymilian Chruszcz and Peter Müller and George M. Sheldrick and Wladek Minor",
	Title = "{Validation of metal-binding sites in macromolecular structures with the CheckMyMetal web server}",
	Journal = "Nature Protocols",
	Volume = "9",
	Number = "1",
	Pages = "156–170",
	collection = "crystallography",
	doi = "10.1038/nprot.2013.172",
	keywords = "metal; bond valence",
	rating = "2",
	read = "2014-05-15",
	year = 2014
}

@Article{2014-Zheng-HZWM,
	Author = "Heping Zheng and Jing Hou and Matthew D. Zimmerman and Alexander Wlodawer and Wladek Minor",
	Title = "{The future of crystallography in drug discovery}",
	Journal = "Expert Opin. Drug Discov.",
	Volume = "9",
	Number = "2",
	Pages = "125–137",
	collection = "crystallography",
	doi = "10.1517/17460441.2014.872623",
	keywords = "big data; protein crystallography",
	rating = "2",
	read = "2014-03-23",
	year = 2014
}

@Article{2015-Joels-LE,
	Author = "Marian Joëls and Monica Di Luca and Barry J. Everitt",
	Title = "{Neuro opinion: reforming the academic system is a joint responsibility}",
	Journal = "Eur. J. Neurosci.",
	collection = "neuroscience",
	doi = "10.1111/ejn.12886",
	read = "2015-04-28",
	type = "Opinion",
	year = 2015
}

@Article{2018-Kasparov,
	Author = "Garry Kasparov",
	Title = "{Chess, a Drosophila of reasoning}",
	Journal = "Science",
	Volume = "362",
	Pages = "1087",
	collection = "machine learning",
	doi = "10.1126/science.aaw2221",
	keywords = "chess; deep learning",
	rating = "3",
	read = "2018-12-27",
	type = "Editorial",
	year = 2018
}

@Article{2018-Silver-HSALGLSKGLSH,
	Author = "David Silver and Thomas Hubert and Julian Schrittweiser and Ioannis Antonoglou and Matthew Lai and Arthur Guez and Marc lanctot and Laurent Sifre and Dharshan Kumaran and Thore Graepel and Timothy Lillicrap and Karen Simonyan and Demis Hassabis",
	Title = "{A general reinforcement learning algorithm that masters chess, shogi and Go through self-play}",
	Journal = "Science",
	Volume = "362",
	Pages = "1140-1144",
	collection = "machine learning",
	doi = "10.1126/science.aar6404",
	keywords = "chess; deep learning",
	rating = "3",
	read = "2018-12-28",
	year = 2018
}

@Book{book-1958-Dirac,
	Author = "Paul A. M. Dirac",
	Title = "{The Principles of Quantum Mechanics}",
	Publisher = "Clarendon",
	Edition = "4",
	collection = "quantum physics",
	year = 1958
}

@Book{book-1987-Buckingham,
	Author = "A. David Buckingham",
	Editor = "B. Pullman",
	Title = "{Intermolecular Interactions: From Diatomics to Biopolymers}",
	Publisher = "John Wiley and Sons",
	Address = "New York",
	collection = "molecular interactions",
	year = 1987
}

@Book{book-1994-Feynman,
	Author = "Richard Feynman",
	Title = "{The Character of Physical Law}",
	collection = "physics",
	isbn = "0-679-60127-9",
	published = "Modern Library",
	rating = "3",
	read = "2010",
	year = 1994
}

@Book{book-1997-Gould,
	Author = "Stephen Jay Gould",
	Title = "{Questioning the Millennium}",
	Publisher = "Harmony Books",
	collection = "philosophy",
	isbn = "0-609-60541-0",
	read = "2015-05-05",
	year = 1997
}

@Book{book-1998-Lehmann-Abrera,
	Author = "Erich L. Lehmann and H. J. M. D'Abrera",
	Title = "{Nonparametrics: Statistical Methods Based on Ranks}",
	Publisher = "Prentice-Hall",
	Address = "Upper Saddle River, N.J.",
	Edition = "rev. 1st ed",
	collection = "statistics",
	year = 1998
}

@Book{book-2001-Adams,
	Author = "James L. Adams",
	Title = "{Conceptual Blockbusting}",
	Publisher = "Perseus Publishing",
	Edition = "4",
	collection = "psychology",
}

@Book{book-2002-Onuki,
	Author = "Akira Onuki",
	Title = "{Phase Transition Dynamics}",
	Publisher = "Cambridge University Press",
	collection = "phase transitions",
	isbn = "9780521572934",
	year = 2002
}

@Book{book-2004-Cramer,
	Author = "Christopher J. Cramer",
	Title = "{Essentials of Computational Chemistry}",
	Edition = "2",
	collection = "quantum chemistry",
	isbn = "0-470-09181-9",
	year = 2004
}

@Book{book-2005-Fogel,
	Author = "K. Fogel",
	Title = "{Producing Open Source Software}",
	Publisher = "O'Reilly",
	collection = "software",
	year = 2005
}

@Book{book-2006-Ariga-Kunitake,
	Author = "Katsuhiko Ariga and Toyoki Kunitake",
	Title = "{Supramolecular Chemistry}",
	Publisher = "Springer",
	collection = "molecular interactions",
	isbn = "978-3-540-01298-6",
	year = 2006
}

@Book{book-2006-Lowe-Peterson,
	Author = "John P. Lowe and Kirk A. Peterson",
	Title = "{Quantum Chemistry}",
	Publisher = "Elsevier",
	Edition = "3",
	collection = "quantum chemistry",
	isbn = "978-0-12-457551-6",
	year = 2006
}

@Book{book-2007-Gould,
	Author = "Steven J. Gould",
	Title = "{Punctuated Equilibrium}",
	Publisher = "Harvard University Press",
	collection = "evolution",
	isbn = "978-0674024441",
	rating = "3",
	year = 2007
}

@Book{book-2007-Piela,
	Author = "Lucjan Piela",
	Title = "{Ideas of Quantum Chemistry}",
	Publisher = "Elsevier",
	collection = "quantum chemistry",
	isbn = "978-0-444-52227-6",
	year = 2007
}

@Book{book-2008-Keller,
	Author = "Timothy Keller",
	Title = "{The Reason for God}",
	Publisher = "Riverhead Books",
	collection = "philosophy",
	isbn = "1594483493",
	rating = "2",
	year = 2008
}

@Book{book-2008-Ulin,
	Author = "David L. Ulin",
	Title = "{The Lost Art of Reading}",
	Publisher = "Sasquatch Books",
	collection = "psychology",
	isbn = "978-1-57061-670-9",
	rating = "3",
	read = "2018",
	subtitle = "{Why Books Matter in a Distracted Time}",
	year = 2010
}

@Book{book-2016-Christian-Griffiths,
	Author = "Brian Christian and Tom Griffiths",
	Title = "{Algorithms to Live By}",
	Publisher = "Henry Holt and Co.",
	collection = "psychology",
	isbn = "978-1-627-79036-9",
	rating = "3",
	read = "2018",
	subtitle = "{The Computer Science of Human Decisions}",
	year = 2016
}

@InCollection{chapter-1999-Giannelis-KM,
	Author = "Emmanuel P. Giannelis and Ramanan Krishnamoorti and E. Manias",
	Title = "{Polymer-Silicate Nanocomposites: Model Systems for Confined Polymers and Polymer Brushes}",
	BookTitle = "{Polymer-Silicate Nanocomposites: Model Systems for Confined Polymers and Polymer Brushes}",
	Publisher = "Springer Berlin / Heidelberg",
	Series = "{Advances in Polymer Science}",
	Pages = "107–147",
	collection = "polymer nanocomposites",
	doi = "10.1007/3-540-69711-X_3",
	keywords = "polymer nanocomposites",
	year = 1999
}

@InCollection{chapter-1999-Sokalski-KGDS,
	Author = "W. Andrzej Sokalski and Paweł Kędzierski and Jolanta Grembecka and Paweł Dziekoński and Krzysztof Strasburger",
	Title = "{Theoretical tools for analysis and modelling electrostatic effects in biomolecules}",
	BookTitle = "{Computational Molecular Biology, 8}",
	Publisher = "Elsevier",
	Editor = "Jerzy Leszczyński",
	Pages = "369–396",
	collection = "molecular electrostatics",
	doi = "10.1016/S1380-7323(99)80085-5",
	isbn = "978-0-444-50030-4",
	url = "http://www.elsevier.com/wps/find/bookdescription.cws_home/620268/description",
	year = 1999
}

@InBook{chapter-2007-Moszynski,
	Author = "Robert Moszyński",
	Editor = "W. Andrzej Sokalski and Jerzy Leszczyński",
	Title = "{Theory of Iintermolecular Forces: an Introductory Account}",
	Chapter = "1",
	Pages = "1–152",
	Publisher = "Springer",
	Volume = "4",
	Series = "{Challanges and Advances in Computational Chemistry and Physics}",
	collection = "molecular interactions",
	isbn = "978-1-4020-5362-6",
	year = 2007
}

@InProceedings{proceedings-2008-Sevink-Fraaije,
	Author = "G. J. Agur Sevink and Johannes G. E. M. Fraaije",
	Title = "{Modelling complex systems in full detail: a new approach}",
	BookTitle = "{Complex Systems: 5th International Workshop on Complex Systems}",
	Volume = "982",
	Series = "{AIP Conference Proceedings}",
	Pages = "491–496",
	collection = "block copolymer nanocomposites",
	doi = "10.1063/1.2897843",
	keywords = "block copolymers; mesophase transitions; nanospheres; polymer nanocomposites",
	methods = "DDFT/BD",
	year = 2008
}

@InProceedings{proceedings-2009-Behnel-BS,
	Author = "Stefan Behnel and Robert W. Bradshaw and Dag S. Seljebotn",
	Title = "{Cython tutorial}",
	BookTitle = "{Proceedings of the 8th Python in Science Conference (SciPy 2009)}",
	Pages = "4–14",
	collection = "informatics",
	year = 2009
}

@InProceedings{proceedings-2009-Seljebotn,
	Author = "Dag S. Seljebotn",
	Title = "{Fast numerical computations with Cython}",
	BookTitle = "{Proceedings of the 8th Python in Science Conference (SciPy 2009)}",
	Pages = "15–22",
	collection = "informatics",
	year = 2009
}

@InProceedings{proceedings-2013-Hall-Huan,
	Author = "Aaron S. Hall and Jun Huan",
	Title = "{KUChemBio: a repository of computational chemical biology data sets}",
	BookTitle = "{2013 IEEE International Conference on Big Data}",
	Pages = "37–42",
	collection = "cheminformatics",
	year = 2013
}

@InProceedings{proceedings-2014-Hinton-VD,
	Author = "Geoffrey Hinton and Oriol Vinyals and Jeff Dean",
	Title = "{Distilling the knowledge in a neural network}",
	BookTitle = "{Deep Learning and Representation Learning Workshop: NIPS 2014}",
	Number = 65,
	collection = "informatics",
	year = 2014
}

@InProceedings{proceedings-2015-Helland,
	Author = "Pat Helland",
	Title = "{Immutability changes everything}",
	BookTitle = "{Conference on Innovative Data Systems Research (CIDR) 2015}",
	collection = "informatics",
	year = 2015
}

@PhdThesis{thesis-2001-Kedzierski,
	Author = "Paweł Kędzierski",
	Title = "{Study of the nature of interactions in the active sites of enzymes}",
	School = "Wrocław University of Technology",
	collection = "enzymes",
	year = 2001
}

@PhdThesis{thesis-2005-Lyakhova,
	Author = "Kateryna S. Lyakhova",
	Title = "{Mesoscale modelling of block copolymers under external fields}",
	collection = "block copolymers",
	keywords = "block copolymers; electric fields; mesophase transitions; thin films",
	methods = "DDFT",
	year = 2005
}