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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
Source PublicationCHINESE PHYSICS LETTERS
2012-06-01
DOI10.1088/0256-307X/29/6/063401
Volume29Issue:6
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Multidisciplinary
WOS Research AreaPhysics
WOS KeywordPOTENTIAL-ENERGY SURFACES ; CONFIGURATION-INTERACTION CALCULATIONS ; AB-INITIO ; INTERPOLATION ; COEFFICIENTS ; CONVERGENCE ; DYNAMICS ; NO
AbstractThe 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.
Language英语
WOS IDWOS:000305481400033
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/143016
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
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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