Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of Alkanes

Arieh Warshel; Shneior Lifson

doi:10.1063/1.1674031

Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of Alkanes

The Journal of Chemical Physics ◽

10.1063/1.1674031 ◽

1970 ◽

Vol 53 (2) ◽

pp. 582-594 ◽

Cited By ~ 293

Author(s):

Arieh Warshel ◽

Shneior Lifson

Keyword(s):

Force Field ◽

Crystal Structures ◽

Lattice Vibrations ◽

Force Field Calculations ◽

Molecular Conformations ◽

Consistent Force Field

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Consistent force field calculations on the geometry of triethylamine

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/bf00903332 ◽

1980 ◽

Vol 111 (3) ◽

pp. 779-782 ◽

Cited By ~ 1

Author(s):

Wolfgang Robien ◽

Louis Hellemans ◽

Peter Wolschann

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Consistent Force Field

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Ligand effects on jahn-teller Distortions consistent force field calculations of Cu(II) complexes

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)92204-7 ◽

1980 ◽

Vol 40 ◽

pp. X108-X109

Author(s):

Philippe Bugno ◽

Carl Wilhelm Schläpfer

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Ligand Effects ◽

Jahn Teller ◽

Consistent Force Field

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Consistent force field calculations. III. Vibrations, conformations, and heats of hydrogenation of nonconjugated olefins

Journal of the American Chemical Society ◽

10.1021/ja00794a003 ◽

1973 ◽

Vol 95 (13) ◽

pp. 4121-4132 ◽

Cited By ~ 184

Author(s):

Otto. Ermer ◽

Shneior. Lifson

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Consistent Force Field

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Conformations of disaccharides by empirical force field calculations. Part V: Conformational maps of β-gentiobiose in an optimized consistent force field

International Journal of Biological Macromolecules ◽

10.1016/s0141-8130(05)80089-3 ◽

1993 ◽

Vol 15 (1) ◽

pp. 56-62 ◽

Cited By ~ 24

Author(s):

Søren Balling Engelsen ◽

Kjeld Rasmussen

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations ◽

Consistent Force Field

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ChemInform Abstract: CONSISTENT FORCE FIELD CALCULATIONS ON THE GEOMETRY OF TRIETHYLAMINE

Chemischer Informationsdienst ◽

10.1002/chin.198037072 ◽

1980 ◽

Vol 11 (37) ◽

Author(s):

W. ROBIEN ◽

L. HELLEMANS ◽

P. WOLSCHANN

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Consistent Force Field

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ChemInform Abstract: CONSISTENT FORCE FIELD CALCULATIONS PART 3, VIBRATIONS, CONFORMATIONS, AND HEATS OF HYDROGENATION OF NONCONJUGATED OLEFINS

Chemischer Informationsdienst ◽

10.1002/chin.197335082 ◽

1973 ◽

Vol 4 (35) ◽

pp. no-no

Author(s):

OTTO ERMER ◽

SHNEIOR LIFSON

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Consistent Force Field

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Highly alkylated cyclohexanes. – X-Ray crystal structures, force-field calculations, and conformations ofcis/trans-1,4-disubstituted cyclohexane isomers

Chemische Berichte ◽

10.1002/cber.19881210821 ◽

1988 ◽

Vol 121 (8) ◽

pp. 1469-1474 ◽

Cited By ~ 3

Author(s):

Winnfried Hasel ◽

Wolfgang Schnick ◽

Martin Jansen ◽

H. M. R. Hoffmann

Keyword(s):

Force Field ◽

Crystal Structures ◽

Force Field Calculations ◽

X Ray

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Consistent force field calculations on 2,5-diketopiperazine and its 3.6-dimethyl derivatives

Biopolymers ◽

10.1002/bip.360101014 ◽

1971 ◽

Vol 10 (10) ◽

pp. 1973-1982 ◽

Cited By ~ 38

Author(s):

Susan Karplus ◽

Shneior Lifson

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Consistent Force Field

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Crystal Structures and Empirical Force-Field Calculations of Some Steroids of the Vitamin D Series

Vitamin D - Biochemical, Chemical and Clinical Aspects Related to Calcium Metabolism ◽

10.1515/9783112327203-010 ◽

1977 ◽

pp. 57-60

Keyword(s):

Vitamin D ◽

Force Field ◽

Crystal Structures ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Recent Developments in the Consistent Force Field Calculations

Dynamic Aspects of Conformation Changes in Biological Macromolecules ◽

10.1007/978-94-010-2579-9_28 ◽

1973 ◽

pp. 421-429 ◽

Cited By ~ 2

Author(s):

Shneior Lifson

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Recent Developments ◽

Consistent Force Field

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