Theoretical study of the reaction OH+SO → H+SO2

We report a quasiclassical trajectory study of the title reaction using a recently reported double many-body expansion potential energy surface for ground state HSO2. Two methods that aim to account for zero point energy leakage are used. A capture-type behavior is predicted, with recrossing effects manifesting mainly at high translational energies. Reaction cross sections and a comparison of the calculated rate constant with available literature data are also reported. (c) 2006 Published by Elsevier B.V.