Titlebook: Computational Theoretical Organic Chemistry; Proceedings of the N I. G. Csizmadia,R. Daudel Conference proceedings 1981 D. Reidel Publishin

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Switzerland as a Financial Centre) and Sandorfy (2) we will concentrate on the theoretical aspects of their photochemical behavior. We have reviewed this subject in some detail (3) so that here we will concentrate on the construction of orbital and singlet state correlation diagrams containing Rydberg components which will permit t

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Francesco Garufo,Christelle Maire of molecular fragments, it becomes possible to describe the molecular electronic structure as a result of orbital interactions among the molecular fragments. The perturbation behind those interactions is that separate molecules or molecular fragments were brought together in close proximity, and hence may be termed an inter-system perturbation.

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Conference proceedings 1981overlaping areas. In this case the overlaping areas are Computational Theoretical Chemistry and Organic Chemistry. Since CTOC is a relatively young science, people continue to shift from their major discipline to this area. At this particular time in history we have to accept in CTOC people who were

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The Configuration Interaction Method,ppropriate to carry out actual calculations. By using various theorems and rules it is explained how to construct matrix elements between electron configurations of different degree of excitation. Finally a few shortcomings of the method are mentioned together with recent developments improving the computational methodology.