Theoretical study of the dynamics of the reaction C(3P)+CH(X2)
文献类型：期刊论文
| 作者 | Zhang, Hehua1,2; Hu, Changjin1,2; Wei, Qiang3; Zhang, Bing1,2 |
| 刊名 | MOLECULAR PHYSICS
 |
| 出版日期 | 2009 |
| 卷号 | 107期号:23-24页码:2503-2509 |
| 关键词 | quasi-classical trajectory stereodynamics vector correlation rotational polarization cross section |
| 通讯作者 | Zhang, B (reprint author), Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China. |
| 英文摘要 | A theoretical study of the dynamics of the reaction C([image omitted]) + CH([image omitted]) using the quasi-classical trajectory (QCT) method has been performed based on the double many-body expansion (DMBE) potential energy surface (PES) [Phys. Chem. Chem. Phys. 2, 1693 (2000)]. The integral cross section, as well as the product rotational alignment factor < p2(j' center dot k)> and four polarization-dependent differential cross sections (PDDCSs), i.e. [image omitted] [image omitted] [image omitted] and [image omitted] were studied. Furthermore, the distribution of the dihedral angle [image omitted] and the distribution of the angle between k and j' [image omitted] are discussed. The angular distribution [image omitted] of the product rotational vector was also calculated. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Physics |
| 关键词[WOS] | PRODUCT ROTATIONAL POLARIZATION ; INITIATED BIMOLECULAR REACTIONS ; DEPENDENT QUANTUM DYNAMICS ; POTENTIAL-ENERGY SURFACES ; C+CH REACTION ; WAVE-PACKET ; ALIGNMENT ; A+BC ; C2H ; CH |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000272898000007 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/2298]  |
| 专题 | 武汉物理与数学研究所_2011年以前论文发表（包括2011年） |
| 作者单位 | 1.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Dynam Mol React, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Hehua,Hu, Changjin,Wei, Qiang,et al. Theoretical study of the dynamics of the reaction C(3P)+CH(X2)[J]. MOLECULAR PHYSICS,2009,107(23-24):2503-2509. |
| APA | Zhang, Hehua,Hu, Changjin,Wei, Qiang,&Zhang, Bing.(2009).Theoretical study of the dynamics of the reaction C(3P)+CH(X2).MOLECULAR PHYSICS,107(23-24),2503-2509. |
| MLA | Zhang, Hehua,et al."Theoretical study of the dynamics of the reaction C(3P)+CH(X2)".MOLECULAR PHYSICS 107.23-24(2009):2503-2509. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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