Ab Initio/RRKM study of the O(D-1)+NH3 reaction: Prediction of product branching ratios
文献类型：期刊论文
| 作者 | Wang, L; Mebel, AM; Yang, XM; Wang, XY |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 2004-12-30 |
| 卷号 | 108期号:52页码:11644-11650 |
| 英文摘要 | the reaction mechanism, rate constants, and product branching ratios for the o(d-1) + nh3 reaction have been studied using ab initio/rrkm methods. the reaction is shown to occur mainly through the insertion mechanism involving the long-lived chemically activated nh2oh* intermediate. the calculated branching ratios of various decomposition products of nh2oh* are in good agreement with recently reported experimental values. the reaction can also proceed through the addition/abstraction mechanism on the first excited-state pes, which is demonstrated to provide some contribution to the nh2 + oh channel and to partially account for the forward scattering of the oh products observed in experiment. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; physics |
| 关键词[WOS] | potential-energy surfaces ; ramsperger-kassel-marcus ; density ; photodissociation ; dynamics ; hydrogen ; model ; ch3oh |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000225924800021 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/139366]  |
| 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.Florida Int Univ, Dept Chem & Biochem, Miami, FL 33199 USA 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Acad Sinica, Inst Atom & Mol Sci, Taipei 10764, Taiwan |
| 推荐引用方式 GB/T 7714 | Wang, L,Mebel, AM,Yang, XM,et al. Ab Initio/RRKM study of the O(D-1)+NH3 reaction: Prediction of product branching ratios[J]. journal of physical chemistry a,2004,108(52):11644-11650. |
| APA | Wang, L,Mebel, AM,Yang, XM,&Wang, XY.(2004).Ab Initio/RRKM study of the O(D-1)+NH3 reaction: Prediction of product branching ratios.journal of physical chemistry a,108(52),11644-11650. |
| MLA | Wang, L,et al."Ab Initio/RRKM study of the O(D-1)+NH3 reaction: Prediction of product branching ratios".journal of physical chemistry a 108.52(2004):11644-11650. |
入库方式： OAI收割
来源：大连化学物理研究所
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