GRADIENT LINES ON THE MULTIDIMENSIONAL PO TENTIAL-ENERGY SURFACES ANDMECHANISMS OF CHEMICAL-REACTIONS

The reaction path on the potential energy surface has been shown to be a gradient line between two critical points. Contemporary rules at re action path symmetry were analysed with respect to their agreement wit h experimental data and ab initio calculations. By several examples th e existence of the reaction paths consisting of several (nonequivalent and equivalent) gradient lines is shown to be possible. Relationships between reaction paths and relevant reaction mechanisms are discussed .