Empirical intermolecular potentials for N2and CO2from crystal data

N. Jacobi; O. Schnepp

doi:10.1063/1.1679713

Empirical intermolecular potentials for N2and CO2from crystal data

The Journal of Chemical Physics ◽

10.1063/1.1679713 ◽

1973 ◽

Vol 58 (9) ◽

pp. 3647-3651 ◽

Cited By ~ 38

Author(s):

N. Jacobi ◽

O. Schnepp

Keyword(s):

Crystal Data ◽

Intermolecular Potentials

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THE DETERMINATION OF INTERMOLECULAR POTENTIALS FROM CRYSTAL DATA, I. GENERAL THEORY AND APPLICATION TO CRYSTALLINE BENZENE AT SEVERAL TEMPERATURES

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.61.2.429 ◽

1968 ◽

Vol 61 (2) ◽

pp. 429-436 ◽

Cited By ~ 22

Author(s):

F. A. Momany ◽

G. Vanderkooi ◽

H. A. Scheraga

Keyword(s):

General Theory ◽

Crystal Data ◽

Intermolecular Potentials ◽

Crystalline Benzene

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Intermolecular potentials from crystal data. IV. Application of empirical potentials to the packing configurations and lattice energies in crystals of amino acids

The Journal of Physical Chemistry ◽

10.1021/j100609a006 ◽

1974 ◽

Vol 78 (16) ◽

pp. 1621-1630 ◽

Cited By ~ 60

Author(s):

F. A. Momany ◽

L. M. Carruthers ◽

H. A. Scheraga

Keyword(s):

Amino Acids ◽

Crystal Data ◽

Intermolecular Potentials ◽

Empirical Potentials ◽

Lattice Energies

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Intermolecular Potentials from Crystal Data. V. Crystal Packing of Poly[β-(p-chlorobenzyl)-L-aspartate

Macromolecules ◽

10.1021/ma60040a014 ◽

1974 ◽

Vol 7 (4) ◽

pp. 468-480 ◽

Cited By ~ 19

Author(s):

Yi-Chang Fu ◽

Robert F. McGuire ◽

Harold A. Scheraga

Keyword(s):

Crystal Packing ◽

Crystal Data ◽

Intermolecular Potentials

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Intermolecular potentials from crystal data. 5. Determination of empirical potentials for O-H...O hydrogen bonds from packing configurations and lattice energies of polyhydric alcohols

The Journal of Physical Chemistry ◽

10.1021/j100524a025 ◽

1977 ◽

Vol 81 (9) ◽

pp. 928-931 ◽

Cited By ~ 15

Author(s):

George Nemethy ◽

Harold A. Scheraga

Keyword(s):

Hydrogen Bonds ◽

Crystal Data ◽

Intermolecular Potentials ◽

Empirical Potentials ◽

Polyhydric Alcohols ◽

Lattice Energies

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Empirical temperature-dependent intermolecular potentials determined by data mining from crystal data

Chemical Physics Letters ◽

10.1016/j.cplett.2018.03.053 ◽

2018 ◽

Vol 699 ◽

pp. 115-124 ◽

Cited By ~ 2

Author(s):

D.W.M. Hofmann ◽

L.N. Kuleshova

Keyword(s):

Data Mining ◽

Crystal Data ◽

Intermolecular Potentials ◽

Temperature Dependent

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Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurations

The Journal of Physical Chemistry ◽

10.1021/j150669a035 ◽

1984 ◽

Vol 88 (25) ◽

pp. 6231-6233 ◽

Cited By ~ 295

Author(s):

Manfred J. Sippl ◽

George Nemethy ◽

Harold A. Scheraga

Keyword(s):

Hydrogen Bonds ◽

Crystal Data ◽

Intermolecular Potentials ◽

Empirical Potentials

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Determination of Intermolecular Potentials from Crystal Data. II. Crystal Packing with Applications to Poly(amino acids)

Macromolecules ◽

10.1021/ma60019a025 ◽

1971 ◽

Vol 4 (1) ◽

pp. 112-124 ◽

Cited By ~ 42

Author(s):

R. F. McGuire ◽

G. Vanderkooi ◽

F. A. Momany ◽

R. T. Ingwall ◽

G. M. Crippen ◽

...

Keyword(s):

Amino Acids ◽

Crystal Packing ◽

Crystal Data ◽

Intermolecular Potentials

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Intermolecular potentials from crystal data. III. Determination of empirical potentials and application to the packing configurations and lattice energies in crystals of hydrocarbons, carboxylic acids, amines, and amides

The Journal of Physical Chemistry ◽

10.1021/j100609a005 ◽

1974 ◽

Vol 78 (16) ◽

pp. 1595-1620 ◽

Cited By ~ 349

Author(s):

F. A. Momany ◽

L. M. Carruthers ◽

R. F. McGuire ◽

H. A. Scheraga

Keyword(s):

Carboxylic Acids ◽

Crystal Data ◽

Intermolecular Potentials ◽

Empirical Potentials ◽

Lattice Energies

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ChemInform Abstract: INTERMOLECULAR POTENTIALS FROM CRYSTAL DATA PART 3, DETERMINATION OF EMPIRICAL POTENTIALS AND APPLICATION TO THE PACKING CONFIGURATIONS OF HYDROCARBONS, CARBOXYLIC ACIDS, AMINES, AMIDES AND AMINO ACIDS

Chemischer Informationsdienst ◽

10.1002/chin.197441084 ◽

1974 ◽

Vol 5 (41) ◽

pp. no-no

Author(s):

F. A. MOMANY ◽

L. M. CARRUTHERS ◽

R. F. MCGUIRE ◽

H. A. SCHERAGA

Keyword(s):

Amino Acids ◽

Carboxylic Acids ◽

Crystal Data ◽

Intermolecular Potentials ◽

Empirical Potentials

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Short Communications: Crystal data for anhydrous sodium sulphamate

Zeitschrift für Kristallographie - Crystalline Materials ◽

10.1524/zkri.1982.159.14.315 ◽

1982 ◽

Vol 159 (1-4) ◽

Author(s):

R. Manickkavachagam ◽

R. K. Rajaram ◽

K. S. Chandrasekaran

Keyword(s):

Crystal Data

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