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题名: Time-dependent wave-packet quantum scattering study of the reactions D-+H-2 -> H-+HD and H-+D-2 -> D-+HD
作者: Yao, Li;  Ju, Liping;  Chu, Tianshu;  Han, Li
刊名: PHYSICAL REVIEW A
发表日期: 2006-12-01
DOI: 10.1103/PhysRevA.74.062715
卷: 74, 期:6
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Optics ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Optics ;  Physics
英文摘要: The cross sections of the title reactions were calculated as functions of collision energy in the range 0.2-2.4 eV on a potential energy surface of Panda and Sathyamurthy [J. Chem. Phys. 121, 9343 (2004)]. The calculated results with the Coriolis coupled method were found to be more consistent with the experimental ones than the centrifugal sudden approximation, thus suggesting that Coriolis coupling plays an important role in those reactions. A pronounced isotopic effect was also revealed and attributed to the significant difference of the effective potential barrier height in both reactions.
关键词[WOS]: REACTION PROBABILITIES ;  STATES APPROXIMATION ;  CROSS-SECTIONS ;  COLLISIONS ;  DYNAMICS ;  ENERGY ;  SYSTEM ;  RESONANCES ;  MOLECULES ;  H-+D-2
语种: 英语
WOS记录号: WOS:000243166700083
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140375
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, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Dalian Maritime Univ, Dept Phys, Dalian 116026, Peoples R China
3.Qingdao Univ, Inst Computat Sci & Engn, Qingdao 266071, Peoples R China

Recommended Citation:
Yao, Li,Ju, Liping,Chu, Tianshu,et al. Time-dependent wave-packet quantum scattering study of the reactions D-+H-2 -> H-+HD and H-+D-2 -> D-+HD[J]. PHYSICAL REVIEW A,2006,74(6).
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