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Chung-Phillips, Alice, Stevenson, Thomas A. (1990) Simulations of internal rotation potential energies for substituted ethanes. Journal of Computational Chemistry, 11 (6). 743-753 doi:10.1002/jcc.540110607

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Reference TypeJournal (article/letter/editorial)
TitleSimulations of internal rotation potential energies for substituted ethanes
JournalJournal of Computational Chemistry
AuthorsChung-Phillips, AliceAuthor
Stevenson, Thomas A.Author
Year1990 (July)Volume11
Issue6
PublisherWiley
DOIdoi:10.1002/jcc.540110607Search in ResearchGate
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Mindat Ref. ID3145580Long-form Identifiermindat:1:5:3145580:0
GUID0
Full ReferenceChung-Phillips, Alice, Stevenson, Thomas A. (1990) Simulations of internal rotation potential energies for substituted ethanes. Journal of Computational Chemistry, 11 (6). 743-753 doi:10.1002/jcc.540110607
Plain TextChung-Phillips, Alice, Stevenson, Thomas A. (1990) Simulations of internal rotation potential energies for substituted ethanes. Journal of Computational Chemistry, 11 (6). 743-753 doi:10.1002/jcc.540110607
In(1990, July) Journal of Computational Chemistry Vol. 11 (6) Wiley

See Also

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Chung-Phillips, Alice (1989) Methods for the Fourier-series expansion of torsional energies. Journal of Computational Chemistry, 10 (5). 733-747 doi:10.1002/jcc.540100514
Chung-Phillips, Alice (1992) Torsional energy levels and wave functions. Journal of Computational Chemistry, 13 (7). 874-882 doi:10.1002/jcc.540130712
Chung-Phillips, Alice (1989) Deorthogonalization of atomic originals in the CNDO approach. Journal of Computational Chemistry, 10 (1). 17-34 doi:10.1002/jcc.540100104
Field, Martin J., Bash, Paul A., Karplus, Martin (1990) A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations. Journal of Computational Chemistry, 11 (6). 700-733 doi:10.1002/jcc.540110605
Hnizdo, Vladimir, Fedorowicz, Adam, Singh, Harshinder, Demchuk, Eugene (2003) Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations. Journal of Computational Chemistry, 24 (10). 1172-1183 doi:10.1002/jcc.10289
Chung‐Phillips, Alice (1988) A study of the Fourier‐series representation for internal rotation. The Journal of Chemical Physics, 88 (3). 1764-1774 doi:10.1063/1.454100
(1990) Masthead. Journal of Computational Chemistry, 11 (6). doi:10.1002/jcc.540110601
Ponomarev, Yu. I., Rasovskii, M. R., Paramonov, B. Yu. (1993) Potential barriers of internal rotation in halogen-substituted ethanes. Journal of Structural Chemistry, 34 (1). 33-36 doi:10.1007/bf00745399
Lin, Wei‐chuwan (1970) Dependence of Vicinal H–H Coupling Constants in Substituted Ethanes on the Potential Function Characteristics to Internal Rotation. Application to A2B2PMR Spectrum of Nonsymmetrical 1,2‐Disubstituted Ethanes. The Journal of Chemical Physics, 52 (6) 2805-2814 doi:10.1063/1.1673404
Shen, Jian, Wong, Chung F., Subramaniam, Shankar, Albright, Thomas A., McCammon, J. Andrew (1990) Partial electrostatic charges for the active center of Cu, Zn superoxide dismutase. Journal of Computational Chemistry, 11 (3). 346-350 doi:10.1002/jcc.540110309
Chung-Phillips, Alice (1992) An ab initio study of internal rotation. Journal of Molecular Structure: THEOCHEM, 257. 417-435 doi:10.1016/0166-1280(92)85053-n
 
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