Collect. Czech. Chem. Commun. 1985, 50, 577-580

Topological aspects of chemical reactivity. Theoretical justification of overlap determinant method

Robert Ponec

Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol


The mutual relation of overlap determinant method and the selection rules in chemical reactivity has been analysed in terms of the technique of the configuration analysis. Such approach allows to prove the generality and the universality of the originally introduced criterion not only for thermal but also for photochemical reactions.