Recent advances in quantum scattering calculations on polyatomic bimolecular reactions
文献类型：期刊论文
| 作者 | Shan, Xiao3; Clary, David C.3; Fu, Bina1,2; Zhang, Dong H.1,2 |
| 刊名 | CHEMICAL SOCIETY REVIEWS
 |
| 出版日期 | 2017-12-21 |
| 卷号 | 46期号:24页码:7625-7649 |
| ISSN号 | 0306-0012 |
| DOI | 10.1039/c7cs00526a |
| 文献子类 | Review |
| 英文摘要 | This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful because they provide highly accurate information on the dynamics of chemical reactions which can be compared in detail with experimental results. They also serve as quantum mechanical benchmarks for testing approximate theories which can more readily be applied to more complicated reactions. This review includes theories for calculating quantities such as rate constants which have many important scientific applications. |
| WOS关键词 | POTENTIAL-ENERGY SURFACE ; TRANSITION-STATE THEORY ; DIFFERENTIAL CROSS-SECTIONS ; CHEMICAL-REACTION DYNAMICS ; FULL-DIMENSIONAL QUANTUM ; BOND-SELECTED REACTION ; WAVE-PACKET METHOD ; REAGENT VIBRATIONAL-EXCITATION ; ABSTRACTION REACTION DYNAMICS ; POLYMER MOLECULAR-DYNAMICS |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000417755500008 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/169234]  |
| 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 |
| 通讯作者 | Fu, Bina |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, Dalian 116023, Peoples R China 3.Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, South Parks Rd, Oxford OX1 3QZ, England |
| 推荐引用方式 GB/T 7714 | Shan, Xiao,Clary, David C.,Fu, Bina,et al. Recent advances in quantum scattering calculations on polyatomic bimolecular reactions[J]. CHEMICAL SOCIETY REVIEWS,2017,46(24):7625-7649. |
| APA | Shan, Xiao,Clary, David C.,Fu, Bina,&Zhang, Dong H..(2017).Recent advances in quantum scattering calculations on polyatomic bimolecular reactions.CHEMICAL SOCIETY REVIEWS,46(24),7625-7649. |
| MLA | Shan, Xiao,et al."Recent advances in quantum scattering calculations on polyatomic bimolecular reactions".CHEMICAL SOCIETY REVIEWS 46.24(2017):7625-7649. |
入库方式： OAI收割
来源：大连化学物理研究所
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