Mathematical model of reorganization of valence electrons involving two atoms
- 1 January 1986
- journal article
- Published by Institute of Organic Chemistry & Biochemistry in Collection of Czechoslovak Chemical Communications
- Vol. 51 (12) , 2637-2655
- https://doi.org/10.1135/cccc19862637
Abstract
The algebraic description of states of atomic vectors and their interconversions in a form of 9-dimensional vectors is suggested. The elaborated algorithms LENGTH and PATH calculate the distance between two states of an atomic vector and construct all possible shortest paths between them, respectively. Illustrative applications demonstrate the chemical impact and interpretation of the theory.Keywords
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