Significant nonadiabatic effects in the S(D-1)+HD reaction
文献类型：期刊论文
| 作者 | Chu, Tian-Shu; Han, Ke-Li; Schatz, George C. |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 2007-08-30 |
| 卷号 | 111期号:34页码:8286-8290 |
| 英文摘要 | a nonadiabatic quantum dynamics calculation involving four coupled potential energy surfaces (two degenerate (3)a' ', one (3)a', and one (1)a') and the spin-orbit coupling matrix for these states is reported for the title reaction. the results show that the important discrepancy between theoretically calculated and experimentally measured intramolecular isotope effects can at least in part be attributed to significant nonadiabatic effects. |
| 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] | quantum wave-packet ; insertion reaction dynamics ; initio potential surface ; cross-sections ; chemical-reactions ; state ; d-2 ; hd ; model ; beam |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000248929600003 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/140677]  |
| 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.Northwestern Univ, Dept Chem, Evanston, IL 60208 USA |
| 推荐引用方式 GB/T 7714 | Chu, Tian-Shu,Han, Ke-Li,Schatz, George C.. Significant nonadiabatic effects in the S(D-1)+HD reaction[J]. journal of physical chemistry a,2007,111(34):8286-8290. |
| APA | Chu, Tian-Shu,Han, Ke-Li,&Schatz, George C..(2007).Significant nonadiabatic effects in the S(D-1)+HD reaction.journal of physical chemistry a,111(34),8286-8290. |
| MLA | Chu, Tian-Shu,et al."Significant nonadiabatic effects in the S(D-1)+HD reaction".journal of physical chemistry a 111.34(2007):8286-8290. |
入库方式： OAI收割
来源：大连化学物理研究所
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