Coriolis Coupling Effects in O+(S-4) + H-2(X-1 Sigma(+)(g)) -> OH+(X-3 Sigma(-)) + H(S-2) Reaction and Its Isotopic Variants: Exact Time-Dependent Quantum Scattering Study
文献类型：期刊论文
| 作者 | Xu, Wenwu; Li, Wenliang; Lv, Shuangjiang; Zhai, Hongsheng; Duan, Zhixin; Zhang, Peiyu |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 2012-11-15 |
| 卷号 | 116期号:45页码:10882-10888 |
| 英文摘要 | the time-dependent wave packet quantum method taking into account the coriolis coupling (cc) has been employed to investigate the dynamics of o+ + h-2/d-2/hd (v(i) = 0, j(i) = 0) reactions based on an accurate potential energy surface [martinez et al. j. chem. phys. 2004, 120, 4705]. through the comparison between the results with and without cc, the pronounced cc effects have been revealed in the title reactions. moreover, the calculated results with the cc method can well reproduce the data of close-coupling hyperspherical (cch) exact quantum method. the calculations demonstrate that the cc effects play an important role in the o+ + h-2 system. |
| 类目[WOS] | chemistry, physical ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; physics |
| 关键词[WOS] | dependent wave-packet ; chemical-reaction dynamics ; potential-energy surface ; quantum dynamics ; hd+ collisions ; d++h-2 ; state ; h+o-2 ; ne ; he |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000311192400002 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/142940]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, Wenwu,Li, Wenliang,Lv, Shuangjiang,et al. Coriolis Coupling Effects in O+(S-4) + H-2(X-1 Sigma(+)(g)) -> OH+(X-3 Sigma(-)) + H(S-2) Reaction and Its Isotopic Variants: Exact Time-Dependent Quantum Scattering Study[J]. journal of physical chemistry a,2012,116(45):10882-10888. |
| APA | Xu, Wenwu,Li, Wenliang,Lv, Shuangjiang,Zhai, Hongsheng,Duan, Zhixin,&Zhang, Peiyu.(2012).Coriolis Coupling Effects in O+(S-4) + H-2(X-1 Sigma(+)(g)) -> OH+(X-3 Sigma(-)) + H(S-2) Reaction and Its Isotopic Variants: Exact Time-Dependent Quantum Scattering Study.journal of physical chemistry a,116(45),10882-10888. |
| MLA | Xu, Wenwu,et al."Coriolis Coupling Effects in O+(S-4) + H-2(X-1 Sigma(+)(g)) -> OH+(X-3 Sigma(-)) + H(S-2) Reaction and Its Isotopic Variants: Exact Time-Dependent Quantum Scattering Study".journal of physical chemistry a 116.45(2012):10882-10888. |
入库方式： OAI收割
来源：大连化学物理研究所
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