| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9577474 | Chemical Physics Letters | 2005 | 4 Pages |
Abstract
Time-dependent wave packet calculation for the DÂ +Â DCN reaction is carried out employing TSH3 potential energy surface [M.A. terHorst, G.C. schatz, L.B. Harting, J. Chem. Phys. 105 (1996) 558] with the semirigid vibrating rotor target (SVRT) model [J.Z.H. Zhang, J. Chem. Phys. 111 (1999) 3929]. We calculated the total reaction probabilities from the initial ground ro-vibrational state for various values of total angular momentum J. The reaction cross sections and rate constants are also calculated and compared with the previous results for the isotopic reaction HÂ +Â HCN on the same potential energy surface.
Related Topics
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Authors
Wan-Yong Ma, Jian-Hua Zhou, Mao-You Yang, Yue-Feng Zhu,