Vector correlations in the F plus HO -> HF plus O reaction and its isotopic variant
文献类型：期刊论文
| 作者 | Zhao, Dan1,2; Chu, TianShu2,3; Hao, Ce1 |
| 刊名 | journal of molecular modeling
 |
| 出版日期 | 2012-07-01 |
| 卷号 | 18期号:7页码:3283-3289 |
| 关键词 | Isotopic effect Quasi-classical trajectory Stereodynamics Vector correlations |
| 英文摘要 | the f + h(d)o -> hf(df) + o reactions have been studied using quasi-classical trajectory (qct) calculation method, based on the three different potential energy surfaces (pess) of gomez-carrasco et al. (j chem phys 2004, 121:4605; j chem phys 2005, 123:114310; chem phys lett 2007, 435:188). facilitated with the analysis of the qct results, the pictures for product scattering and product polarizations have been presented to investigate the vector correlations in the two reactions, with effects of isotope substitution and electronic state as well as collision energy being revealed at a chemical stereodynamical level. |
| WOS标题词 | science & technology ; life sciences & biomedicine ; physical sciences ; technology |
| 类目[WOS] | biochemistry & molecular biology ; biophysics ; chemistry, multidisciplinary ; computer science, interdisciplinary applications |
| 研究领域[WOS] | biochemistry & molecular biology ; biophysics ; chemistry ; computer science |
| 关键词[WOS] | product rotational polarization ; potential-energy surface ; initiated bimolecular reactions ; reaction dynamics ; chemiluminescent reaction ; chemical-reactions ; electronic-state ; alignment ; stereodynamics ; f+oh |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000305602900036 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/142973]  |
| 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.Dalian Univ Technol, Sch Chem Engn, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Qingdao Univ, Inst Computat Sci & Engn, Lab New Fiber Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Dan,Chu, TianShu,Hao, Ce. Vector correlations in the F plus HO -> HF plus O reaction and its isotopic variant[J]. journal of molecular modeling,2012,18(7):3283-3289. |
| APA | Zhao, Dan,Chu, TianShu,&Hao, Ce.(2012).Vector correlations in the F plus HO -> HF plus O reaction and its isotopic variant.journal of molecular modeling,18(7),3283-3289. |
| MLA | Zhao, Dan,et al."Vector correlations in the F plus HO -> HF plus O reaction and its isotopic variant".journal of molecular modeling 18.7(2012):3283-3289. |
入库方式： OAI收割
来源：大连化学物理研究所
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