Modified molecular charge similarity indices for choosing molecular analogues.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 309, doi. 10.1002/qua.560310211
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1987 AND VI 31 AND IP 2
Results: 15
1
2
The structure and properties of flavins: Molecular orbital study based on totally optimized geometries. II. Molecular orbital structure and electron distribution.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 217, doi. 10.1002/qua.560310204
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- Publication type:
- Article
3
Molecular theory and cooperative mechanism of shock waves-induced detonations in energetic molecular crystals.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 331, doi. 10.1002/qua.560310215
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- Publication type:
- Article
4
Basis sets generation: Relation between Adamowicz's and the maximum overlap method.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 279, doi. 10.1002/qua.560310208
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- Publication type:
- Article
5
A molecular orbital study of cis and trans diaminodichloroplatinum(II).
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 295, doi. 10.1002/qua.560310210
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- Publication type:
- Article
6
The structure and properties of flavins: Molecular orbital study based on totally optimized geometries. I. Molecular geometry investigations.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 195, doi. 10.1002/qua.560310203
- By:
- Publication type:
- Article
7
Gaussian basis for the Dirac-Fock discrete basis expansion calculation.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 329, doi. 10.1002/qua.560310214
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- Publication type:
- Article
8
Ab initio exchange-correlation parameter in the Xα method.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 269, doi. 10.1002/qua.560310207
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- Publication type:
- Article
9
Orthogonal Waller-Hartree spin eigenfunctions.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 187, doi. 10.1002/qua.560310202
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- Publication type:
- Article
10
Pulsed laser optogalvanic spectroscopy of xenon in RF discharge.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 327, doi. 10.1002/qua.560310213
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- Publication type:
- Article
11
Orbital energies: The aufbau principle and Koopman's theorem in the UHF method.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 251, doi. 10.1002/qua.560310206
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- Publication type:
- Article
12
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. fmi, doi. 10.1002/qua.560310201
- Publication type:
- Article
13
Comparison of Ab Initio quantum chemistry with experiment for small molecules. The state of the art. Edited by Rodney J. Bartlett, D. Reidel Publishing Company, 1985.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 325, doi. 10.1002/qua.560310212
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- Publication type:
- Article
14
Matrix elements for the Morse potential using ladder operators.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 243, doi. 10.1002/qua.560310205
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- Publication type:
- Article
15
C. A. coulson and the surface energy of metals: The distribution of eigenvalues as a difficult problem in number theory.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 2, p. 287, doi. 10.1002/qua.560310209
- By:
- Publication type:
- Article