The dynamical significance of valley-ridge inflection points

In this paper we demonstrate that valley-ridge inflection (VRI) points of a potential energy surface (PES) have dynamical influence on the fate trajectories underlying Hamiltonian system. These attracted attention chemists in past decades when studying selectivity problems organic chemical reactions whose landscape exhibits post-transition-state bifurcation region between two sequential saddles without an intervening minimum. To address significance points, construct symmetric function allows us to move location VRI point while keeping locations and energies critical fixed. setup, carry out parametric study behavior ensembles terms system position point. Our analysis reveals controls fraction recross high saddle PES entering either wells are separated by low saddle.