Ya-min Li, Zhi-min Xie, Qiong Dang. Theoretical Studies of O(1D)+HD (v=0, j=0, 1, 2, 3)→OD(H)+H(D) Reaction[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 310-312. doi: 10.1088/1674-0068/23/03/310-312
Citation: Ya-min Li, Zhi-min Xie, Qiong Dang. Theoretical Studies of O(1D)+HD (v=0, j=0, 1, 2, 3)→OD(H)+H(D) Reaction[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 310-312. doi: 10.1088/1674-0068/23/03/310-312

Theoretical Studies of O(1D)+HD (v=0, j=0, 1, 2, 3)→OD(H)+H(D) Reaction

doi: 10.1088/1674-0068/23/03/310-312
  • Received Date: 2010-03-11
  • 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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Theoretical Studies of O(1D)+HD (v=0, j=0, 1, 2, 3)→OD(H)+H(D) Reaction

doi: 10.1088/1674-0068/23/03/310-312

Abstract: 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.

Ya-min Li, Zhi-min Xie, Qiong Dang. Theoretical Studies of O(1D)+HD (v=0, j=0, 1, 2, 3)→OD(H)+H(D) Reaction[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 310-312. doi: 10.1088/1674-0068/23/03/310-312
Citation: Ya-min Li, Zhi-min Xie, Qiong Dang. Theoretical Studies of O(1D)+HD (v=0, j=0, 1, 2, 3)→OD(H)+H(D) Reaction[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 310-312. doi: 10.1088/1674-0068/23/03/310-312

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