Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 5/6
Results: 12
Masthead.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. fmi, doi. 10.1002/jcc.540170501
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- Article
Merck molecular force field. IV. conformational energies and geometries for MMFF94.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 587, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<587::AID-JCC4>3.0.CO;2-Q
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Molecular mechanics (MM4) calculations on conjugated hydrocarbons.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 695, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<695::AID-JCC8>3.0.CO;2-P
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Hyperconjugative effects on carbon-Carbon bond lengths in molecular mechanics (MM4).
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 747, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<747::AID-JCC10>3.0.CO;2-5
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Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 553, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<553::AID-JCC3>3.0.CO;2-T
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Molecular mechanics (MM4) calculations on alkenes.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 669, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<669::AID-JCC7>3.0.CO;2-S
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Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbons.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 730, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<730::AID-JCC9>3.0.CO;2-V
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An improved force field (MM4) for saturated hydrocarbons.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 642, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<642::AID-JCC6>3.0.CO;2-U
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Editorial.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 489, doi. 10.1002/jcc.540170502
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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 490, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
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Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 616, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<616::AID-JCC5>3.0.CO;2-X
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Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions.
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- Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 520, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<520::AID-JCC2>3.0.CO;2-W
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- Article