Works matching IS 01928651 AND DT 1998 AND VI 19 AND IP 10
Results: 7
Factors controlling relative stability of anomers and hydroxymethyl conformers of glucopyranose.
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- Journal of Computational Chemistry, 1998, v. 19, n. 10, p. 1111, doi. 10.1002/(SICI)1096-987X(19980730)19:10<1111::AID-JCC1>3.0.CO;2-P
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General molecular mechanics approach to transition metal complexes.
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- Journal of Computational Chemistry, 1998, v. 19, n. 10, p. 1167, doi. 10.1002/(SICI)1096-987X(19980730)19:10<1167::AID-JCC5>3.0.CO;2-K
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Automated molecular mechanics parameterization with simultaneous utilization of experimental and quantum mechanical data.
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- Journal of Computational Chemistry, 1998, v. 19, n. 10, p. 1146, doi. 10.1002/(SICI)1096-987X(19980730)19:10<1146::AID-JCC4>3.0.CO;2-M
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Asymmetry in methyl group of ethane during internal rotation: Ab initio study.
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- Journal of Computational Chemistry, 1998, v. 19, n. 10, p. 1141, doi. 10.1002/(SICI)1096-987X(19980730)19:10<1141::AID-JCC3>3.0.CO;2-M
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Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants.
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- Journal of Computational Chemistry, 1998, v. 19, n. 10, p. 1187, doi. 10.1002/(SICI)1096-987X(19980730)19:10<1187::AID-JCC7>3.0.CO;2-I
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Asymmetrization effects on structures and populations of the ground state of dipolar donor-acceptor-substituted molecular organic NLO materials.
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- Journal of Computational Chemistry, 1998, v. 19, n. 10, p. 1130, doi. 10.1002/(SICI)1096-987X(19980730)19:10<1130::AID-JCC2>3.0.CO;2-N
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Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density.
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- Journal of Computational Chemistry, 1998, v. 19, n. 10, p. 1179, doi. 10.1002/(SICI)1096-987X(19980730)19:10<1179::AID-JCC6>3.0.CO;2-J
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