State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior
文献类型：期刊论文
| 作者 | 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 |
| 刊名 | journal of the american chemical society
 |
| 出版日期 | 2008-11-12 |
| 卷号 | 130期号:45页码:14962-+ |
| 英文摘要 | converged 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. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, multidisciplinary |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | potential-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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000260682300030 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/140923]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.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 |
| 推荐引用方式 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-+. |
入库方式： OAI收割
来源：大连化学物理研究所
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