Urea: Anab initioand force field study of the gas and solid phases

H. Sun; P. W.-C. Kung

doi:10.1002/jcc.20153

Urea: Anab initioand force field study of the gas and solid phases

Journal of Computational Chemistry ◽

10.1002/jcc.20153 ◽

2005 ◽

Vol 26 (2) ◽

pp. 169-174 ◽

Cited By ~ 11

Author(s):

H. Sun ◽

P. W.-C. Kung

Keyword(s):

Force Field ◽

Field Study ◽

Solid Phases

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Diels-alder reactions of tropylium ion. An empirical force field study

Tetrahedron Letters ◽

10.1016/0040-4039(90)80199-v ◽

1990 ◽

Vol 31 (16) ◽

pp. 2255-2258

Author(s):

George B. Clemans ◽

R.G. Jacoby ◽

M.S. Metzger

Keyword(s):

Force Field ◽

Field Study ◽

Diels Alder ◽

Empirical Force Field

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Force field study of chloryl fluoride (ClO2F) using Green’s function procedure

Proceedings of the Indian Academy of Sciences - Section A ◽

10.1007/bf02841725 ◽

1979 ◽

Vol 88 (2) ◽

pp. 101-107

Author(s):

R. Namasivayam ◽

S. Nagarajan

Keyword(s):

Force Field ◽

Green’S Function ◽

Field Study ◽

Green's Function

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Geometry, force field, and fundamental frequencies of 4a,4b-dihydrophenanthrene, a scaled quantum-mechanical force field study

Chemical Physics Letters ◽

10.1016/0009-2614(92)85412-4 ◽

1992 ◽

Vol 191 (5) ◽

pp. 477-482 ◽

Cited By ~ 6

Author(s):

Xuefeng Zhou ◽

Ruifeng Liu

Keyword(s):

Force Field ◽

Field Study ◽

Mechanical Force ◽

Quantum Mechanical ◽

Fundamental Frequencies

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Analysis of Darling-Dennison Interactions and Related Phenomena in the SO2 Molecule for the Force Field Study

Journal of Molecular Spectroscopy ◽

10.1006/jmsp.1994.1197 ◽

1994 ◽

Vol 166 (2) ◽

pp. 310-320 ◽

Cited By ~ 11

Author(s):

Y. Morino ◽

M. Tanimoto

Keyword(s):

Force Field ◽

Field Study

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Conformational properties of permethylcyclohexane as compared to cyclohexane: A force field study

Journal of Computational Chemistry ◽

10.1002/jcc.540060508 ◽

1985 ◽

Vol 6 (5) ◽

pp. 401-428 ◽

Cited By ~ 8

Author(s):

Otto Ermer ◽

Petko M. Ivanov ◽

Eiji Osawa

Keyword(s):

Force Field ◽

Field Study ◽

Conformational Properties

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Force field study of the interaction between dihydropyridine derivatives and a synthetic Ca2+ channel peptide

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(02)00672-3 ◽

2003 ◽

Vol 623 (1-3) ◽

pp. 87-93 ◽

Cited By ~ 1

Author(s):

Marina Cotta Ramusino ◽

Maria Rosaria Varı̀

Keyword(s):

Force Field ◽

Field Study ◽

Dihydropyridine Derivatives

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Stereoselective organometallic reactions: a force field study of .pi.-allyl intermediates in nickel(0)-catalyzed cycloadditions

Journal of the American Chemical Society ◽

10.1021/ja00080a038 ◽

1994 ◽

Vol 116 (1) ◽

pp. 330-339 ◽

Cited By ~ 13

Author(s):

M. M. Gugelchuk ◽

K. N. Houk

Keyword(s):

Force Field ◽

Field Study ◽

Organometallic Reactions

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Cluster Evolution at Early Stages of 1,3,5-Triamino-2,4,6-trinitrobenzene under Various Heating Conditions: A Molecular Reactive Force Field Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b03795 ◽

2016 ◽

Vol 120 (22) ◽

pp. 3929-3937 ◽

Cited By ~ 28

Author(s):

Yushi Wen ◽

Xianggui Xue ◽

Xinping Long ◽

Chaoyang Zhang

Keyword(s):

Force Field ◽

Field Study ◽

Reactive Force ◽

Reactive Force Field ◽

Early Stages ◽

Cluster Evolution

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Molecular force field study concerning the host properties of carbosilane dendrimers

Macromolecular Theory and Simulations ◽

10.1002/mats.1997.040060205 ◽

1997 ◽

Vol 6 (2) ◽

pp. 371-380 ◽

Cited By ~ 11

Author(s):

Christian Lach ◽

Davide Brizzolara ◽

Holger Frey

Keyword(s):

Force Field ◽

Field Study ◽

Carbosilane Dendrimers ◽

Molecular Force ◽

Molecular Force Field ◽

Host Properties

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Assignment of the fundamental frequencies of p-benzoquinone: a scaled quantum mechanical force field study

The Journal of Physical Chemistry ◽

10.1021/j100190a028 ◽

1992 ◽

Vol 96 (11) ◽

pp. 4255-4261 ◽

Cited By ~ 20

Author(s):

Ruifeng Liu ◽

Xuefeng Zhou ◽

Peter Pulay

Keyword(s):

Force Field ◽

Field Study ◽

Mechanical Force ◽

Quantum Mechanical ◽

Fundamental Frequencies

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