Works matching IS 01928651 AND DT 1984 AND VI 5 AND IP 5
Results: 11
Ab initio studies of structural features not easily amenable to experiment. 38. Structural and conformational investigations of propanoic, 2-methylpropanoic, and butanoic acid.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 451, doi. 10.1002/jcc.540050505
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Calculation of energies of excited states using MNDO.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 480, doi. 10.1002/jcc.540050509
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- Article
On the calculation of transition moments between states described in different orbital basis.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 500, doi. 10.1002/jcc.540050511
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An appraisal of molecular force fields for the representation of polypeptides.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 441, doi. 10.1002/jcc.540050504
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- Article
Vectorization of quantum chemical algorithms: MC- SCF procedures.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 471, doi. 10.1002/jcc.540050508
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Molecular mechanics force-field parameterization procedures.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 486, doi. 10.1002/jcc.540050510
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Molecular vibrational constants of some simple polyatomic molecules. Methyl, silyl, and germyl halides.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 427, doi. 10.1002/jcc.540050503
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Examination of formamide, formamidic acid, amidine dimers, and the double proton transfer transition states involving these dimers.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 466, doi. 10.1002/jcc.540050507
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The value of the π-bond order-bond length relationship in geometry prediction and chemical bonding interpretation.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 411, doi. 10.1002/jcc.540050502
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- Article
A rotation-torsion vibronic band contour program.
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- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 457, doi. 10.1002/jcc.540050506
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Masthead.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. fmi, doi. 10.1002/jcc.540050501
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- Article