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The Rate Constant Calculations for the Reaction H(S-2)+NH(X-3 Sigma(-)) to N(S-4)+H-2 by using Quantum Mechanics Method
Zhai Hong-Sheng; Zhou Pan-Wang
刊名CHINESE PHYSICS LETTERS
2012-06-01
DOI10.1088/0256-307X/29/6/063401
29期:6
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Multidisciplinary
研究领域[WOS]Physics
关键词[WOS]POTENTIAL-ENERGY SURFACES ; CONFIGURATION-INTERACTION CALCULATIONS ; AB-INITIO ; INTERPOLATION ; COEFFICIENTS ; CONVERGENCE ; DYNAMICS ; NO
英文摘要The quantum reactive scattering dynamics calculations are carried out over the collision energy range of 0-1.0 eV on the double many-body expansion (DMBE) potential energy surface reported by Poveda and Varandas [Phys. Chem. Chem. Phys. 7 (2005) 2867]. The reaction probabilities, integral cross-section and rate constants for the title reaction are calculated. The calculated rate constants are in agreement with the available experimental results at high temperature but lower than the experimental results at low temperature.
语种英语
WOS记录号WOS:000305481400033
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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/321008/143016
专题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
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Zhai Hong-Sheng,Zhou Pan-Wang. The Rate Constant Calculations for the Reaction H(S-2)+NH(X-3 Sigma(-)) to N(S-4)+H-2 by using Quantum Mechanics Method[J]. CHINESE PHYSICS LETTERS,2012,29(6).
APA Zhai Hong-Sheng,&Zhou Pan-Wang.(2012).The Rate Constant Calculations for the Reaction H(S-2)+NH(X-3 Sigma(-)) to N(S-4)+H-2 by using Quantum Mechanics Method.CHINESE PHYSICS LETTERS,29(6).
MLA Zhai Hong-Sheng,et al."The Rate Constant Calculations for the Reaction H(S-2)+NH(X-3 Sigma(-)) to N(S-4)+H-2 by using Quantum Mechanics Method".CHINESE PHYSICS LETTERS 29.6(2012).
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