Title of article :
Theoretical study of the reaction OH + SO → H + SO2
Author/Authors :
Ballester، نويسنده , , M.Y. and Varandas، نويسنده , , A.J.C.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Abstract :
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.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters