Found: 14
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Ab initio calculations on the effect of different basis sets and electron correlation on the transition state for the reactions HNC ⇌ HCN and BCN ⇌ BNC.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 1, doi. 10.1002/jcc.540050102
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- Article
On computationally adjusting the Hill equation of adsorption.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 104, doi. 10.1002/jcc.540050113
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- Article
MNDO study of catenated sulfur: The molecules and ions S<sub>3</sub> to S<sub>8</sub>.
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- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 35, doi. 10.1002/jcc.540050106
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- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. fmi, doi. 10.1002/jcc.540050101
- Publication type:
- Article
Interactions of molecules with nucleic acids. IX. Evaluation and presentation of electrostatic contours on a steric surface with the removal of hidden lines.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 89, doi. 10.1002/jcc.540050112
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- Article
A combinatorial algorithm for calculating ligand binding.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 24, doi. 10.1002/jcc.540050105
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- Article
Theoretical analysis of gramicidin A transmembrane channel. II. Energetics of helical librational states of the channel.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 64, doi. 10.1002/jcc.540050109
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- Article
Geometry optimization using symmetry coordinates.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 84, doi. 10.1002/jcc.540050111
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- Article
Ab initio studies on polymers. VII. Polyoxymethylene.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 19, doi. 10.1002/jcc.540050104
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- Article
Solvent dielectric attenuation of substituent effects. Dependence on boundary representation in prolate spheroidal cavity models.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 56, doi. 10.1002/jcc.540050108
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- Article
Calculating the electrostatic potential of molecular models with separate evaluations by conventional, vector, and array processors.
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- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 72, doi. 10.1002/jcc.540050110
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- Article
Ab initio studies on polymers. VI. Torsional potential in regular polyethylene chains.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 11, doi. 10.1002/jcc.540050103
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- Article
Announcement.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 113, doi. 10.1002/jcc.540050114
- Publication type:
- Article
Quantum chemistry with an attached processor.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 1, p. 44, doi. 10.1002/jcc.540050107
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- Article