Rotational invariance of INDO theories including d-orbitals into the basis set.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 705, doi. 10.1002/qua.560110502
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1977 AND VI 11 AND IP 5
Results: 15
1
2
Electronic computation of first-order wave functions using green's functions.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 869, doi. 10.1002/qua.560110513
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- Publication type:
- Article
3
A study of the convergence in iterative natural orbital procedures.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 743, doi. 10.1002/qua.560110506
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- Publication type:
- Article
4
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. fmi, doi. 10.1002/qua.560110501
- Publication type:
- Article
5
Application of graphical methods of spin algebras to limited CI approaches. II. A simple open shell case.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 849, doi. 10.1002/qua.560110512
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- Publication type:
- Article
6
Calculation of molecular electric polarizabilities and dipole moments. II. The LiH molecule.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 733, doi. 10.1002/qua.560110505
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- Publication type:
- Article
7
The electronic structure and properties of pyrazine, its cation, and anion.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 767, doi. 10.1002/qua.560110509
- By:
- Publication type:
- Article
8
Application of graphical methods of spin algebras to limited CI approaches. I. Closed shell case.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 813, doi. 10.1002/qua.560110511
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- Publication type:
- Article
9
Potential energy curves for NiH and NiH<sub>2</sub>.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 725, doi. 10.1002/qua.560110504
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- Publication type:
- Article
10
Lower bound molecular orbitals for H.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 885, doi. 10.1002/qua.560110515
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- Publication type:
- Article
11
Two-parameter ω-technique for MO calculations.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 759, doi. 10.1002/qua.560110508
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- Publication type:
- Article
12
The pairwise correlated generalized valence bond model of electronic structure. II. A simple physical model for electron correlation.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 775, doi. 10.1002/qua.560110510
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- Publication type:
- Article
13
Atomic SCF loge localized wave functions.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 715, doi. 10.1002/qua.560110503
- By:
- Publication type:
- Article
14
Perturbation theory within the variation method.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 881, doi. 10.1002/qua.560110514
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- Publication type:
- Article
15
Additivity model for calculations of UHF spin densities and charge densities in some methyl-substituted radical anions.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 11, n. 5, p. 753, doi. 10.1002/qua.560110507
- By:
- Publication type:
- Article