State and orientation selected reactivity of O(1D) + HCl from wavepacket calculations

Abstract

State and orientation selected reaction properties of O(¹D) + HCl have been calculated using a wavepacket method and a recently proposed potential energy surface. The effect of increasing translational, rotational and vibrational energy on the reactivity of the system has been investigated. A non-negligible effect of the orientation of the target molecule on the efficiency of the reaction process has also been found.