Calculation of the one-electron two-center integrals with STOS using recurrence-based algorithms.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 790, doi. 10.1002/jcc.540090710
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1988 AND VI 9 AND IP 7
Results: 13
1
2
Applications of the model potential method to transition metal compounds.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 719, doi. 10.1002/jcc.540090703
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- Publication type:
- Article
3
Computation of one and two electron spin-orbit integrals.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 771, doi. 10.1002/jcc.540090707
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- Article
4
A molecular mechanics study of the SiO bond and alkyl-silanes.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 709, doi. 10.1002/jcc.540090702
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- Publication type:
- Article
5
Molecular orbital theory of the properties of inorganic and organometallic compounds 5. Extended basis sets for first-row transition metals.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 801, doi. 10.1002/jcc.540090713
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- Publication type:
- Article
6
A simple method for calculating reliable atomic charges in large molecules.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 764, doi. 10.1002/jcc.540090706
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- Publication type:
- Article
7
Masthead.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. fmi, doi. 10.1002/jcc.540090701
- Publication type:
- Article
8
Chemometrics, by M.A. Sharaf, D.L. Illman, and B.R. Kowalski, Wiley, New York, 1986, 332 pp. $49.95.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 799, doi. 10.1002/jcc.540090712
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- Publication type:
- Article
9
Theoretical calculations of proton affinities of azines. Prediction of the relative basicities and preferred protonation sites.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 784, doi. 10.1002/jcc.540090709
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- Publication type:
- Article
10
Similarity and clustering in chemical information systems, by Peter Willett, research studies press, Letchworth, Hertfordshire, England, 230 + xii pp, $54.95, (1987).
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 798, doi. 10.1002/jcc.540090711
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- Publication type:
- Article
11
Representation of the molecular electrostatic potential by atomic multipole and bond dipole models.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 745, doi. 10.1002/jcc.540090705
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- Publication type:
- Article
12
Validity of the Hammond postulate and constraints on general one-dimensional reaction barriers.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 728, doi. 10.1002/jcc.540090704
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- Publication type:
- Article
13
Ab initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines. VIII. Effects of hydration on various reactions involved in the formation and metabolism of N-nitrosamines.
- Published in:
- Journal of Computational Chemistry, 1988, v. 9, n. 7, p. 779, doi. 10.1002/jcc.540090708
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- Publication type:
- Article