Reduced dimensionality quantum rate constants for the D+H2(<i>v</i>=0) and D+H2(<i>v</i>=1) reactions on the LSTH surface

Abstract

Collinear exact quantum reaction probabilities for the D+H2(v=0) and D+H2(v=1) reactions were calculated using the ab initio surface of Liu and Siegbahn (as fit by Truhlar and Horowitz) with an adiabatic treatment of the ground state bend. These probabilities are used to obtain approximate three-dimensional thermal rate constants which are compared with experiment and other calculations.