State-to-state quantum dynamics of the N(S-4) + H-2(X-1 Sigma(+)) -> NH(X-3 Sigma(-)) + H(S-2) reaction and its reaction mechanism analysis
文献类型：期刊论文
| 作者 | Zhang Jing1; Gao Shou-Bao1; Wu Hui2; Meng Qing-Tian1 |
| 刊名 | chinese physics b
 |
| 出版日期 | 2015-08-01 |
| 卷号 | 24期号:8 |
| 关键词 | state-to-state quantum dynamics time-dependent wave packet differential cross section N(S-4) + H-2 |
| 英文摘要 | quantum state-to-state dynamics of the n(s-4) + h-2(x-1 sigma(+)) -> nh(x-3 sigma(-)) + h(s-2) reaction is reported in an accurate novel potential energy surface constructed by zhai et al. (2011 j. chem. phys. 135 104314). the time-dependent wave packet method, which is implemented on graphics processing units, is used to calculate the differential cross sections. the influences of the collision energy on the product state-resolved integral cross sections and total differential cross sections are calculated and discussed. it is found that the products nh are predominated by the backward scattering due to the small impact parameter collisions, with only minor components being forward and sideways scattered, and have an inverted rotational distribution and no inversion in vibrational distributions; both rebound and stripping mechanisms exist in the case of high collision energies. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, multidisciplinary |
| 研究领域[WOS] | physics |
| 关键词[WOS] | potential-energy surface ; graphical processing units ; wave-packet approach ; reactive scattering ; cross-sections ; ammonia ; flames ; rates ; h-2 ; no |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000361906000023 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/146568]  |
| 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.Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang Jing,Gao Shou-Bao,Wu Hui,et al. State-to-state quantum dynamics of the N(S-4) + H-2(X-1 Sigma(+)) -> NH(X-3 Sigma(-)) + H(S-2) reaction and its reaction mechanism analysis[J]. chinese physics b,2015,24(8). |
| APA | Zhang Jing,Gao Shou-Bao,Wu Hui,&Meng Qing-Tian.(2015).State-to-state quantum dynamics of the N(S-4) + H-2(X-1 Sigma(+)) -> NH(X-3 Sigma(-)) + H(S-2) reaction and its reaction mechanism analysis.chinese physics b,24(8). |
| MLA | Zhang Jing,et al."State-to-state quantum dynamics of the N(S-4) + H-2(X-1 Sigma(+)) -> NH(X-3 Sigma(-)) + H(S-2) reaction and its reaction mechanism analysis".chinese physics b 24.8(2015). |
入库方式： OAI收割
来源：大连化学物理研究所
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