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
Pages
7
From page
279
To page
285
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
Serial Year
2007
Journal title
Chemical Physics Letters
Record number
1921004
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