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The validities of centrifugal sudden approximations in chemical reaction dynamics
Chu, Tianshu1,2; Liang, Dongyue2,3; Xu, Jinmei2,4; Dong, Shunle4
关键词Coriolis-coupling Effects Centrifugal Sudden Approximations Chemical Reaction Dynamics Time-dependent Quantum Wave Packet Adiabaticity Nonadiabaticity
刊名INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2015-07-05
DOI10.1002/qua.24913
115期:13页:803-816
收录类别SCI
文章类型Review
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical ; Mathematics, Interdisciplinary Applications ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]Chemistry ; Mathematics ; Physics
关键词[WOS]POTENTIAL-ENERGY SURFACE ; DEPENDENT WAVE-PACKET ; CLASSICAL TRAJECTORY CALCULATIONS ; MECHANICAL CROSS-SECTIONS ; COUPLED QUANTUM DYNAMICS ; ION-MOLECULE REACTION ; AB-INITIO ; RATE CONSTANTS ; GROUND-STATE ; PHOTODISSOCIATION DYNAMICS
英文摘要In this review article, we discuss and analyze the validities of centrifugal sudden (CS) approximations in chemical reactions, with emphasis on the recent progress in the comparison studies of close-coupling and CS approximations in chemical dynamics both adiabatically and nonadiabatically. All these relevant studies are performed using the time-dependent wave packet approach, focusing on several typical and benchmark chemical reactions, for example, the triatomic adiabatic ion-molecule reactions of Ne + H-2(+), He + HeH-, O- + H-2, O+ + D-2, and O+ + HD, the triatomic nonadiabatic reactions of N+NH and O+N-2, and the tetraatomic and polyatomic adiabatic reactions of H-2 + D-2 and H + CHD3. (C) 2015 Wiley Periodicals, Inc.
语种英语
WOS记录号WOS:000354735600001
引用统计
被引频次:3[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/321008/146250
专题中国科学院大连化学物理研究所
作者单位1.Qingdao Univ, Inst Computat Sci & Engn, Lab New Fiber Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Peoples R China
4.Ocean Univ China, Coll Informat Sci & Engn, Qingdao 266071, Peoples R China
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Chu, Tianshu,Liang, Dongyue,Xu, Jinmei,et al. The validities of centrifugal sudden approximations in chemical reaction dynamics[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2015,115(13):803-816.
APA Chu, Tianshu,Liang, Dongyue,Xu, Jinmei,&Dong, Shunle.(2015).The validities of centrifugal sudden approximations in chemical reaction dynamics.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,115(13),803-816.
MLA Chu, Tianshu,et al."The validities of centrifugal sudden approximations in chemical reaction dynamics".INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115.13(2015):803-816.
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