Collect. Czech. Chem. Commun. 1984, 49, 455-473

Topological aspects of chemical reactivity

Robert Ponec

Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol 2


A simple formalism is proposed allowing to characterise the nature of chemical reactions. In comparison with existing techniques the presented method does not require to perform either quantum chemical calculations or to use the group theory. This makes the method convenient not only for pedagogical purposes but also as a routine tool for organic chemists.