| Quantum Reactive Scattering Study of H+CD4 With TD-WF Method | |
| Zhou Y(周勇) ; Zhang DH(张东辉) | |
| 2009-06-01 | |
| 会议名称 | xxiii international symposium on molecular beams |
| 会议日期 | 2009-6-1 |
| 会议地点 | 中国 |
| 页码 | 98/1 |
| 通讯作者 | 张东辉 |
| 中文摘要 | the initial state selected time-dependent wave packet calculations (td-wf) have been carried out to study the title reaction with seven degrees of freedom included by restricting the non-reacting cd3 group under c3v symmetry and the c-d bond length in the group. total reaction probabilities as well as integral cross section (ics) were calculated for the ground vibration state. a comparison is also made with the latest experimental result, which shows greatly consistent. additionally, flux through the transition state (ts) has been analyzed in order to probe the detailed reaction mechanism. |
| 会议主办者 | 中国科学院大连化学物理研究所 |
| 学科主题 | 物理化学 |
| 语种 | 中文 |
| 内容类型 | 会议论文 |
| 源URL | [http://159.226.238.44/handle/321008/113970]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 推荐引用方式 GB/T 7714 | Zhou Y,Zhang DH. Quantum Reactive Scattering Study of H+CD4 With TD-WF Method[C]. 见:xxiii international symposium on molecular beams. 中国. 2009-6-1. |
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