DICP OpenIR
State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior
Sun, Zhigang1,2,3; Zhang, Dong H.1,2; Xu, Chuanxiu4; Zhou, Shulan5; Xie, Daiqian3,5; Lendvay, Gyoergy6; Lee, Soo-Y.3; Lin, Ying7; Guo, Hua7
Source PublicationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2008-11-12
DOI10.1021/ja8068616
Volume130Issue:45Pages:14962-+
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Multidisciplinary
WOS Research AreaChemistry
WOS KeywordPOTENTIAL-ENERGY SURFACE ; ANGULAR-MOMENTUM J-GREATER-THAN-0 ; QUANTUM-MECHANICAL CALCULATIONS ; INTEGRAL CROSS-SECTIONS ; DEPENDENT WAVE-PACKET ; H+O-2 REACTION ; TRAJECTORY CALCULATIONS ; REACTIVE SCATTERING ; COMBUSTION REACTION ; CHEMICAL-KINETICS
AbstractConverged differential and integral cross sections are reported for the H + O-2 -> OH + O reaction on an I improved potential energy surface of HO2(X(2)A '') using a dynamically exact quantum wave packet method and Gaussian weighted quasi-classical trajectory method. The complex-forming mechanism is confirmed by strong forward and backward scattering peaks and by highly inverted OH rotational state distributions. Both the quantum and classical results provide strong evidence for nonstatistical behavior in this important reaction.
Language英语
WOS IDWOS:000260682300030
Citation statistics
Cited Times:41[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/140923
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, Ctr Theoret & Computat Chem, Dalian, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian, Peoples R China
3.Nanyang Technol Univ, Sch Phys & Math Sci, Div Chem & Biol Chem, Singapore, Singapore
4.Southeast Univ, Coll Chem & Chem Engn, Ordered Matter Sci Res Ctr, Nanjing, Peoples R China
5.Nanjing Univ, Sch Chem & Chem Engn, Inst Theoret & Computat Chem, Key Lab Mesoscop Chem MOE, Nanjing 210008, Peoples R China
6.Hungarian Acad Sci, Inst Chem, Chem Res Ctr, Budapest, Hungary
7.Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA
Recommended Citation
GB/T 7714
Sun, Zhigang,Zhang, Dong H.,Xu, Chuanxiu,et al. State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2008,130(45):14962-+.
APA Sun, Zhigang.,Zhang, Dong H..,Xu, Chuanxiu.,Zhou, Shulan.,Xie, Daiqian.,...&Guo, Hua.(2008).State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,130(45),14962-+.
MLA Sun, Zhigang,et al."State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130.45(2008):14962-+.
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