VECTOR CORRELATIONS AND PRODUCT POLARIZATIONS IN THE N(D-2) + D-2 -> ND -> D REACTIVE SYSTEM
文献类型：期刊论文
| 作者 | Nie, Shanshan1; Chu, Tianshu2 |
| 刊名 | journal of theoretical & computational chemistry
 |
| 出版日期 | 2012-10-01 |
| 卷号 | 11期号:5页码:1005-1018 |
| 关键词 | QCT calculation PES isotope effect stereo-dynamics |
| 英文摘要 | the vector correlations between products and reagents of the n(d-2) + d-2 reaction are investigated by employing quasi-classical trajectory (qct) calculation on the accurate dmbe potential energy surface (pes) of the (2)a '' state. stereo-dynamic quantities, including the four generalized polarization-dependent differential cross-sections (pddcss), the angular distribution p(theta(r)), the dihedral-angle distribution p(phi(r)), as well as the product rotational angular distribution in the polar form of p(theta(r), phi(r)) are calculated in the center-of-mass (cm) frame. the results indicate that the product rotational angular momentum j' not only aligns along the y-axis, but also orients to the negative direction of the y-axis. the isotope effect in the context of chemical stereo-dynamics and influences of different versions of ground-state pess on vector correlations are shown and discussed. |
| 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 ; initiated bimolecular reactions ; state-resolved stereodynamics ; quantum wave-packet ; rotational polarization ; chemiluminescent reaction ; reaction dynamics ; electronic-state ; cross-sections ; nitrogen-atoms |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000310804700006 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/138093]  |
| 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, Peoples R China 2.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 | Nie, Shanshan,Chu, Tianshu. VECTOR CORRELATIONS AND PRODUCT POLARIZATIONS IN THE N(D-2) + D-2 -> ND -> D REACTIVE SYSTEM[J]. journal of theoretical & computational chemistry,2012,11(5):1005-1018. |
| APA | Nie, Shanshan,&Chu, Tianshu.(2012).VECTOR CORRELATIONS AND PRODUCT POLARIZATIONS IN THE N(D-2) + D-2 -> ND -> D REACTIVE SYSTEM.journal of theoretical & computational chemistry,11(5),1005-1018. |
| MLA | Nie, Shanshan,et al."VECTOR CORRELATIONS AND PRODUCT POLARIZATIONS IN THE N(D-2) + D-2 -> ND -> D REACTIVE SYSTEM".journal of theoretical & computational chemistry 11.5(2012):1005-1018. |
入库方式： OAI收割
来源：大连化学物理研究所
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