On the reaction path concept of Olender and Elber

Abstract

The Olender–Elber (OE) reaction path concept [1] is shown to be unrelated in general with a true steepest descent path (SDP) in the mathematical sense yet the solutions of such a variational problem may even replace the old reaction path (RP) concept if the RP passes through several critical points of the potential energy surface. We have found a chemically interesting and sufficient condition for the coincidence of OE’s “SDP” and the IRC of Fukui. The OE concept has been discussed here in a rather straightforward manner giving it an exact mathematical description.