Abstract

Early history of the quantum-mechanical approach to the elucidation of the mechanisms of chemical carcinogenesis is presented in outline form. It is concluded that the K. L reactivity region theory still provides a good working hypothesis for theoretical evaluation. Experimental indices of carcinogenicity are then shown to correlate with a straightforward kinetic model that uses K, L-region Pauling bond orders as reactivity parameters. The bond order calculations are found to correlate precisely with SCF-LCAO-MO results, and are derived on the basis of a highly simplified valence-bond approach.

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