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题名: 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
作者: Zhai Hong-Sheng1;  Zhou Pan-Wang1
刊名: CHINESE PHYSICS LETTERS
发表日期: 2012-06-01
DOI: 10.1088/0256-307X/29/6/063401
卷: 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
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.
关键词[WOS]: POTENTIAL-ENERGY SURFACES ;  CONFIGURATION-INTERACTION CALCULATIONS ;  AB-INITIO ;  INTERPOLATION ;  COEFFICIENTS ;  CONVERGENCE ;  DYNAMICS ;  NO
语种: 英语
WOS记录号: WOS:000305481400033
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/143016
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

Recommended Citation:
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).
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