Works matching IS 01928651 AND DT 1980 AND VI 1 AND IP 2
Results: 15
The torsional potential function for n-butane.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 181, doi. 10.1002/jcc.540010211
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- Article
The C<sub>4</sub>H<sub>4</sub>CO potential surface. Reactions involving bicyclo[2.1.0]pentenone.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 129, doi. 10.1002/jcc.540010204
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- Article
The structure of carbon trioxide.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 199, doi. 10.1002/jcc.540010215
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- Article
A theoretical study of paths for decomposition and rearrangement of dihydroxycarbene.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 158, doi. 10.1002/jcc.540010208
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- Article
A note on density matrix extrapolation and multiple solutions of the unrestricted Hartree-Fock equations.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 178, doi. 10.1002/jcc.540010210
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- Article
A theoretical approach to substituent effects.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 118, doi. 10.1002/jcc.540010203
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- Article
Applications of molecular mechanics calculations in carbohydrate chemistry. I. Conformational and constitutional equilibria of tetraoxabicyclo[4.4.0]- and -[5.3.0] decanes, bicyclic diacetals of alditols.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 192, doi. 10.1002/jcc.540010214
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- Article
Graph theoretical characterization and computer generation of certain carcinogenic benzenoid hydrocarbons and identification of bay regions.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 149, doi. 10.1002/jcc.540010207
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- Article
Molecular mechanics of organic halides. III. Fluorinated olefins.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 111, doi. 10.1002/jcc.540010202
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- Article
A theoretical comparison of cationic and anionic homoaromaticity: Reinforcement of cationic homoaromaticity by σ-nonclassical effects.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 189, doi. 10.1002/jcc.540010213
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- Article
Conformational energy surfaces of triplet-state isomeric methyloxiranes.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 141, doi. 10.1002/jcc.540010206
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Masthead.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. fmi, doi. 10.1002/jcc.540010201
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- Article
The barrier to internal rotation in Ge<sub>2</sub>H<sub>6</sub>.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 185, doi. 10.1002/jcc.540010212
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- Article
On the relative importance of core and valence shell representations in the calculation of conformational energies using small Gaussian basis sets.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 134, doi. 10.1002/jcc.540010205
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- Article
An ab initio study of the geometry, harmonic and anharmonic force fields, and fundamental vibrational frequencies of cis- and trans- thiolformic acid.
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- Journal of Computational Chemistry, 1980, v. 1, n. 2, p. 167, doi. 10.1002/jcc.540010209
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- Article