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学科主题: 物理化学
题名: State-to-State Reaction Dynamics in Collision of Deuterium Molecule with Excited-State Nitrogen Atom
作者: Lu, Rui1;  Chu, Tian-shu2, 3;  Chang, Zhi-shang1;  Zhang, Wen-qing1
通讯作者: RuiLü
刊名: BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
发表日期: 2014-06-15
DOI: 10.1246/bcsj.20140001
卷: 87, 期:6, 页:670-676
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: The collision dynamics of deuterium molecule with excited-state nitrogen atom has been investigated at a state-to-state dynamic level by using the real wave packet method. The energy-dependent behavior of the differential and integral cross sections, especially from the reactant quantum states of v = 0, j = 0 to the product quantum states of j' = 0-7, v' = 0-5, is presented and discussed for total energies up to 0.4 eV. The present study predicted noninverted vibrational populations and inverted rotational populations in product rovibrational distributions. Comparison of the theoretical total differential cross section with the previous experimental measurement has also been presented and discussed.
关键词[WOS]: QUANTUM WAVE-PACKET ;  POTENTIAL-ENERGY SURFACE ;  DIFFERENTIAL CROSS-SECTIONS ;  N(D-2)+H-2 REACTION ;  SCATTERING
语种: 英语
WOS记录号: WOS:000337267500003
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/144171
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.Qingdao Univ, Coll Med, Lab Pathogen Biol, Qingdao 266071, Peoples R China
2.Qingdao Univ, Inst Computat Sci & Engn, Lab New Fiber Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Lu, Rui,Chu, Tian-shu,Chang, Zhi-shang,et al. State-to-State Reaction Dynamics in Collision of Deuterium Molecule with Excited-State Nitrogen Atom[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN,2014,87(6):670-676.
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