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题名: Theoretical study of the dynamics of the reaction C(3P)+CH(X2)
作者: Zhang, Hehua1, 2;  Hu, Changjin1, 2;  Wei, Qiang3;  Zhang, Bing1, 2
关键词: quasi-classical trajectory ;  stereodynamics ;  vector correlation ;  rotational polarization ;  cross section
刊名: MOLECULAR PHYSICS
发表日期: 2009
DOI: 10.1080/00268970903379239
卷: 107, 期:23-24, 页:2503-2509
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
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.
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
语种: 英语
WOS记录号: WOS:000272898000007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141576
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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