Theoretical Studies of O（^1D）＋HD （v=0, j=0, 1, 2, 3）→OD（H）＋H（D） Reaction
O（^1D）＋HD（v=0，j=0，1，2，3）→D（H）＋H（D）反应的理论研究
摘要
The quasi-classical trajectory calculation for the reaction O（^1D）＋HD is carried out based on the Dobbyn and Knowles potential energy surface. In this work, the reaction cross section and product branching ratio are obtained. The product branching ratio OD/OH was discussed. The calculated results show that the cross-section decreases thoroughly with the increasing of the collision energy from 4.6 kJ/mol to 46.0 kJ/mol. The average branching ratio decrease with the increase of rotational quantum number of reactant HD.
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