Digital emulation of analog computer techniques for the solution of kinetic systems.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 58, doi. 10.1002/jcc.540040110
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1983 AND VI 4 AND IP 1
Results: 18
1
2
Koopmans' theorem ionization potentials of methyl and silyl halides, chalcogenides, amines, and phosphines: An ab Initio SCF study.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 9, doi. 10.1002/jcc.540040103
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- Article
3
The thioketone-enethiol tautomerism of aliphatic thiocarbonyls: An ab initio study.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 104, doi. 10.1002/jcc.540040114
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- Publication type:
- Article
4
Restricted Hartree-Fock approximation. II. Computational aspects of the direct minimization procedure.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 41, doi. 10.1002/jcc.540040107
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- Publication type:
- Article
5
Announcement.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 124, doi. 10.1002/jcc.540040118
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- Article
6
An ab initio study of the relative stabilities of the isomers of CH<sub>2</sub>N<sub>2</sub> and SiH<sub>2</sub>N<sub>2</sub>.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 1, doi. 10.1002/jcc.540040102
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- Publication type:
- Article
7
Ground states of molecules. 56.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 84, doi. 10.1002/jcc.540040113
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- Publication type:
- Article
8
Restricted Hartree-Fock approximation. I. Techniques for the energy minimization.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 33, doi. 10.1002/jcc.540040106
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- Publication type:
- Article
9
Progress in theoretical organic chemistry, volume 3, L. Radom et al. Elsevier, New York, 1982. Price: $103.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 123, doi. 10.1002/jcc.540040117
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- Publication type:
- Article
10
Masthead.
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- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. fmi, doi. 10.1002/jcc.540040101
- Publication type:
- Article
11
Symmetry properties of chemical graphs. V. Internal rotation in XY⋅<sub>3</sub> XY⋅<sub>2</sub> XY<sub>3</sub>.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 73, doi. 10.1002/jcc.540040112
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- Publication type:
- Article
12
Computer enumeration and generation of benzenoid hydrocarbons and identification of bay regions.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 23, doi. 10.1002/jcc.540040105
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- Publication type:
- Article
13
A study by molecular mechanics of the geometric isomers of benzene hexachloride, benzene tetrachloride, and naphthalene tetrachloride.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 114, doi. 10.1002/jcc.540040116
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- Publication type:
- Article
14
Ab initio studies on calicene.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 53, doi. 10.1002/jcc.540040109
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- Publication type:
- Article
15
Ab initio studies of a proposed mechanism for N-Nitrosamine formation.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 68, doi. 10.1002/jcc.540040111
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- Publication type:
- Article
16
Substituent effects on the charge density in the formyl group.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 15, doi. 10.1002/jcc.540040104
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- Publication type:
- Article
17
A fast algorithm for calculation of the distance matrix of a molecule.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 110, doi. 10.1002/jcc.540040115
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- Publication type:
- Article
18
Comparison of RHF, NDDO, and MOM molecular one-electron expectation values calculated using weighted and unweighted STO- NG (ω) basis functions.
- Published in:
- Journal of Computational Chemistry, 1983, v. 4, n. 1, p. 48, doi. 10.1002/jcc.540040108
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- Publication type:
- Article