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Theoretical study of the dynamics of the reaction C(3P)+CH(X2)
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
2009
DOI10.1080/00268970903379239
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
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
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.
语种英语
WOS记录号WOS:000272898000007
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被引频次:6[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/141576
专题中国科学院大连化学物理研究所
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
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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.
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