Koopman's theorem and allowance for the relaxation of MO's in ab initi calculations of polyhalogenides-Reference-Cited by-同舟云学术

Koopman's theorem and allowance for the relaxation of MO's in ab initi calculations of polyhalogenides

Published:1976 Issue:2 Volume:17 Page:188-193
ISSN:0022-4766
Container-title:Journal of Structural Chemistry
language:en
Short-container-title:J Struct Chem

Author:

Smolyar A. E.,Boldyrev A. I.,Charkin O. P.,Klimenko N. M.,Avdeev V. I.

Publisher

Springer Science and Business Media LLC

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/BF00755438.pdf

Reference24 articles.

1. V. I. Nefedov, The Valence Electronic Levels of Chemical Compounds, Results of Science and Technology. Series. The Structure of Molecules and the Chemical Bond [in Russian], Vol. 3 Vses. Inst. Nauchn. i. Tekh. Informatsii, Moscow (1975), Chap. II.

2. L. S. Cederbaum and G. Hohlneicher, Mol. Phys.,26, 1405 (1973).

3. L. S. Cederbaum and G. Hohlneicher, Chem. Phys. Lett.,18, 503 (1973).

4. A. E. Smolyar, O. P. Charkin, and N. M. Klimenko, Zh. Strukt. Khim.,15, 944 (1974).

5. J. Demuynck and A. Veillard, Theor. Chim. Acta,27, 281 (1972).

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