Collect. Czech. Chem. Commun. 1984, 49, 1247-1261

Valence states of atoms and their conversions

Jaroslav Kočaa, Milan Kratochvílb, Milan Kunzc and Vladimír Kvasničkad

a Department of Mathematics, Faculty of Sciences, Purkyně University, 662 95 Brno
b Research Institute of Pure Chemicals, Lachema, 621 33 Brno
c Research Institute of Macromolecular Chemistry, 656 49 Brno
d Department of Mathematics, Slovak Institute of Technology, 812 37 Bratislava


The algebraic formalism for the description of valence states of atoms and their interconversions is elaborated. It offers a possibility to construct and trace mechanistic paths of chemical reactions, the problem of which is of great importance in computer-assisted organic syntheses. Its systematic application gives exhaustive lists of possible mechanistic paths, and furthermore, very efficient tool to classify chemical reactions and look for their common features.