Collect. Czech. Chem. Commun. 1990, 55, 622-629

Topological aspects of chemical reactivity. Relation between the overlap determinant method and the least motion principle

Robert Ponec and Martin Strnad

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


The recently suggested approach to the study of chemical reactivity in terms of the generalized and integral similarity indices is analyzed and discussed from the point of view of its compatibility with the principle of least motion. It is shown that the formulations of the similarity approach as initially introduced on an intuitive basis are consistent with that principle.