On the high pressure rate constants for the H/Mu + O2 addition reactions

Abstract

We report a trajectory study of the high-pressure limiting rate constants for the H + O2 and Mu + O2 reactions using the realistic single-valued double many-body expansion potential energy surface (DMBE IV). The results are compared with experimental data, and previous calculations (L. B. Harding, J. Troe and V. G. Ushakov, Phys. Chem. Chem. Phys., 2000, 2, 631) based on a two-dimensional ab initio surface.