Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH -> H2O+D
文献类型：期刊论文
| 作者 | Xiao, Chunlei1; Xu, Xin1; Liu, Shu1; Wang, Tao1; Dong, Wenrui1; Yang, Tiangang1,3; Sun, Zhigang1; Dai, Dongxu1; Xu, Xin2; Zhang, Dong H.1 |
| 刊名 | science
 |
| 出版日期 | 2011-07-22 |
| 卷号 | 333期号:6041页码:440-442 |
| 英文摘要 | quantum dynamical theories have progressed to the stage in which state-to-state differential cross sections can now be routinely computed with high accuracy for three-atom systems since the first such calculation was carried out more than 30 years ago for the h + h-2 system. for reactions beyond three atoms, however, highly accurate quantum dynamical calculations of differential cross sections have not been feasible. we have recently developed a quantum wave packet method to compute full-dimensional differential cross sections for four-atom reactions. here, we report benchmark calculations carried out for the prototypical hd + oh -> h2o + d reaction on an accurate potential energy surface that yield differential cross sections in excellent agreement with those from a high-resolution, crossed-molecular beam experiment. |
| WOS标题词 | science & technology |
| 类目[WOS] | multidisciplinary sciences |
| 研究领域[WOS] | science & technology - other topics |
| 关键词[WOS] | hydrogen-exchange reaction ; chemical-reactions ; scattering calculations ; quantum scattering ; reaction dynamics ; 6 dimensions ; chemistry ; resonances |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000292959600041 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/142711]  |
| 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, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China 2.Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China 3.Dalian Univ Technol, Sch Phys & Optoelect Engn, Dalian 116024, Liaoning, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xiao, Chunlei,Xu, Xin,Liu, Shu,et al. Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH -> H2O+D[J]. science,2011,333(6041):440-442. |
| APA | Xiao, Chunlei.,Xu, Xin.,Liu, Shu.,Wang, Tao.,Dong, Wenrui.,...&Yang, Xueming.(2011).Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH -> H2O+D.science,333(6041),440-442. |
| MLA | Xiao, Chunlei,et al."Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH -> H2O+D".science 333.6041(2011):440-442. |
入库方式： OAI收割
来源：大连化学物理研究所
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