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Quantum Mechanics Rate Constant for the N plus ND Reaction
Zhang, Ai-jie; He, Guo-zhong
关键词Nonadiabatic Quantum Dynamical Calculation n+nd -> n(2)+d Reaction Rate Constant
刊名CHINESE JOURNAL OF CHEMICAL PHYSICS
2011-10-01
DOI10.1088/1674-0068/24/05/547-550
24期:5页:547-550
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]POTENTIAL-ENERGY SURFACE ; DYNAMICS CALCULATIONS ; HN2 ; FLAMES ; HYDRAZINE ; N-2
英文摘要We present nonadiabatic quantum dynamical calculations on the two coupled potential energy surfaces (1(2)A' and 2(2)A') [J. Theor. Comput. Chem. 8, 849 (2009)] for the reaction. Initial state-resolved reaction probabilities and cross sections for the N+ND -> N(2)+D reaction and N'+ND -> N+N'D reaction for collision energies of 5 meV to 1.0 eV are determined, respectively. It is found that the N+ND -> N(2)+D reaction is dominated in the N+ND reaction. In addition, we obtained the rate constants for the N+ND -> N(2)+D reaction which demand further experimental investigations.
语种英语
WOS记录号WOS:000297139200007
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/142442
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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Zhang, Ai-jie,He, Guo-zhong. Quantum Mechanics Rate Constant for the N plus ND Reaction[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2011,24(5):547-550.
APA Zhang, Ai-jie,&He, Guo-zhong.(2011).Quantum Mechanics Rate Constant for the N plus ND Reaction.CHINESE JOURNAL OF CHEMICAL PHYSICS,24(5),547-550.
MLA Zhang, Ai-jie,et al."Quantum Mechanics Rate Constant for the N plus ND Reaction".CHINESE JOURNAL OF CHEMICAL PHYSICS 24.5(2011):547-550.
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