Download PDF by Per-Olov Löwdin: Advances in quantum chemistry. / Volume 5

By Per-Olov Löwdin

ISBN-10: 0120348055

ISBN-13: 9780120348053

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1956). Recueil Trav. Chim. Pays-Bas 7 5 , 378. , (1965). J. Phys. Chem. 64,397. , and WOODWARD, R. B. J . Am. Chem. Soc. 87,2046. ITOH,R. (1957). J . Phys. Japan 12, 644, 809. ITOH,R . (1958). J . Phys. 13, 389. 26 R. Daudel ITOH,R. (1959). J. Phys. Japan 14, 1224. , and PORTER, G. (1961). Proc. Roy. SOC. 260, 13. LAIDLER, K. J. (1955). “The Chemical Kinetics of Excited States,” p. 41. Oxford Univ. Press, London and New York. 0. , and DE CAIN,J. H. (1965). J. Am. Chem. 87,2945. LETSINGER, R. , TAMSAY, MALRIEU, J.

The Chemical Kinetics of Excited States,” p. 41. Oxford Univ. Press, London and New York. 0. , and DE CAIN,J. H. (1965). J. Am. Chem. 87,2945. LETSINGER, R. , TAMSAY, MALRIEU, J. P. (1966). Photochem. Photobiol. 5, 291. MASSE,J. L. (1954). Compt. Rend. 258, 1320. MAYER, J. E. (1965). in “Reactivity of the Photoexcited Organic Molecules,” p. 73. Wiley, New York. PORTER,G. (1967). in “Reactivity of the Photoexcited Organic Molecules,” p. 82, Wiley (Interscience), New York. PULLMAN, A. and DAUDEL, R.

Expansive Promotion . . . . E. Orbital Analysis of the Antibinding Energy . , . VII. Dependence upon the Internuclear Distance A. Orbital Partitioning . , . . B. Competition between Promotion and Interference . C. Differences between the United Atom and the Molecule . VIII. Conclusions . . Appendix A . . . . Appendix B . . References . . . . . . * . . . . . 7 79 80 80 84 90 94 94 97 98 I. Introduction Current progress towards better quantum chemical calculations is leading to increasingly complex wave functions, making it more and more difficult to relate them to qualitative ideas about chemical binding.

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Advances in quantum chemistry. / Volume 5 by Per-Olov Löwdin


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