Generalized valences
β Scribed by B. S. Stechkin
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1975
- Tongue
- English
- Weight
- 309 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0001-4346
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π SIMILAR VOLUMES
In this article a procedure for generating starting orbitals for generalized valence bond (GVB) calculations is presented. This is achieved by selecting orbitals which correspond to specific bonds or electron pairs. These orbitals can be identified from the localized molecular orbitals, for both occ
## Abstract A new scheme, called βlist of nonredundant bondsβ, is presented to record the number of bonds and their positions for the atoms involved in KekulΓ© valence structures of (poly)cyclic conjugated systems. Based on this scheme, a recursive algorithm for generating KekulΓ© valence structures