productpolarizationandstatedistributionsoftheclhdreaction
文献类型：期刊论文
| 作者 | Chen Maodu; Tang Biyu; Han Keli; Lou Nanquan |
| 刊名 | 化学物理学报
 |
| 出版日期 | 2002-01-01 |
| 卷号 | 15期号:4页码:247 |
| ISSN号 | 1003-7713 |
| 英文摘要 | The dynamics of the Cl + HD reaction has been studied by means of quasiclassical trajectory calculations on both BW2 and G3 potential energy surfaces. The calculation show the product rotational alignment is sensitive to the potential energy surfaces and mass factors of reaction system. While the calculated product polarization on BW2 potential energy surface seems stronger than that on G3 potential energy surface for two products and the rotation of the DCl product is more strongly aligned in comparison with the HCl product in all cases. And also the calculations show the effect of the reagent rotational excitation on reactivity for both surfaces is significantly different. The initial rotational excitation has a positive influence on the reactivity for the Cl + HD reaction from calculations on the BW2 surface, while the effect of the reagent rotational excitation on reactivity is negative for G3 surface. |
| 语种 | 英语 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/175608]  |
| 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 |
| 作者单位 | 中国科学院大连化学物理研究所 |
| 推荐引用方式 GB/T 7714 | Chen Maodu,Tang Biyu,Han Keli,et al. productpolarizationandstatedistributionsoftheclhdreaction[J]. 化学物理学报,2002,15(4):247. |
| APA | Chen Maodu,Tang Biyu,Han Keli,&Lou Nanquan.(2002).productpolarizationandstatedistributionsoftheclhdreaction.化学物理学报,15(4),247. |
| MLA | Chen Maodu,et al."productpolarizationandstatedistributionsoftheclhdreaction".化学物理学报 15.4(2002):247. |
入库方式： OAI收割
来源：大连化学物理研究所
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