刘世莉, 石英. Influence of Vibrational Excitation on Stereodynamics for O(3P)+D2→OD+D Reaction[J]. Chinese Journal of Chemical Physics , 2010, 23(6): 649-654. doi: 10.1088/1674-0068/23/06/649-654
Citation: 刘世莉, 石英. Influence of Vibrational Excitation on Stereodynamics for O(3P)+D2→OD+D Reaction[J]. Chinese Journal of Chemical Physics , 2010, 23(6): 649-654. doi: 10.1088/1674-0068/23/06/649-654

Influence of Vibrational Excitation on Stereodynamics for O(3P)+D2→OD+D Reaction

doi: 10.1088/1674-0068/23/06/649-654
Funds:  This work was supported by the Jilin University (No.419080106440). We also would like to thank Pro-fessor Ke-li Han for providing stereodynamics QCT pro-gram.
  • Received Date: 2010-07-11
  • Theoretical investigations on the stereodynamics of the O(3P)+D2 reaction have been calcu-lated by means of the quasi-classical trajectory to study the product rotational polarization at collision energy of 104.5 kJ/mol on the potential energy surface of the ground 3A" triplet state. The vector properties including angular momentum alignment distributions and four polarization dependent generalized differential cross-sections of product have been presented. Furthermore, the influence of reagent vibrational excitation on the product vector properties has also been studied. The results indicate that the vector properties are sensitively affected by reagent vibrational excitation.
  • 加载中
  • 加载中
通讯作者: 陈斌, bchen63@163.com
  • 1. 

    沈阳化工大学材料科学与工程学院 沈阳 110142

  1. 本站搜索
  2. 百度学术搜索
  3. 万方数据库搜索
  4. CNKI搜索

Article Metrics

Article views(2152) PDF downloads(1503) Cited by()

Proportional views
Related

Influence of Vibrational Excitation on Stereodynamics for O(3P)+D2→OD+D Reaction

doi: 10.1088/1674-0068/23/06/649-654
Funds:  This work was supported by the Jilin University (No.419080106440). We also would like to thank Pro-fessor Ke-li Han for providing stereodynamics QCT pro-gram.

Abstract: Theoretical investigations on the stereodynamics of the O(3P)+D2 reaction have been calcu-lated by means of the quasi-classical trajectory to study the product rotational polarization at collision energy of 104.5 kJ/mol on the potential energy surface of the ground 3A" triplet state. The vector properties including angular momentum alignment distributions and four polarization dependent generalized differential cross-sections of product have been presented. Furthermore, the influence of reagent vibrational excitation on the product vector properties has also been studied. The results indicate that the vector properties are sensitively affected by reagent vibrational excitation.

刘世莉, 石英. Influence of Vibrational Excitation on Stereodynamics for O(3P)+D2→OD+D Reaction[J]. Chinese Journal of Chemical Physics , 2010, 23(6): 649-654. doi: 10.1088/1674-0068/23/06/649-654
Citation: 刘世莉, 石英. Influence of Vibrational Excitation on Stereodynamics for O(3P)+D2→OD+D Reaction[J]. Chinese Journal of Chemical Physics , 2010, 23(6): 649-654. doi: 10.1088/1674-0068/23/06/649-654

Catalog

    /

    DownLoad:  Full-Size Img  PowerPoint
    Return
    Return