Recent Advances in Quantum Dynamics of Bimolecular Reactions
文献类型：期刊论文
| 作者 | Zhang, Dong H.1,2; Guo, Hua3; Johnson, MA; Martinez, TJ |
| 刊名 | ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67
 |
| 出版日期 | 2016 |
| 卷号 | 67页码:135-158 |
| 关键词 | Potential-energy Surface Reactive Scattering Differential Cross Sections Mode Specificity Product Energy Disposal Resonances Nonadiabatic Effects Neural Networks Permutation Invariant Polynomials |
| ISSN号 | 0066-426X |
| DOI | 10.1146/annurev-physchem-040215-112016 |
| 文献子类 | Review |
| 英文摘要 | In this review, we survey the latest advances in theoretical understanding of bimolecular reaction dynamics in the past decade. The remarkable recent progress in this field has been driven by more accurate and efficient ab initio electronic structure theory, effective potential-energy surface fitting techniques, and novel quantum scattering algorithms. Quantum mechanical characterization of bimolecular reactions continues to uncover interesting dynamical phenomena in atom-diatom reactions and beyond, reaching an unprecedented level of sophistication. In tandem with experimental explorations, these theoretical developments have greatly advanced our understanding of key issues in reaction dynamics, such as microscopic reaction mechanisms, mode specificity, product energy disposal, influence of reactive resonances, and nonadiabatic effects. |
| WOS关键词 | POTENTIAL-ENERGY SURFACES ; CHEMICAL-REACTION DYNAMICS ; TO-STATE DYNAMICS ; BORN-OPPENHEIMER APPROXIMATION ; DIFFERENTIAL CROSS-SECTIONS ; TRANSITION-STATE ; MODE SPECIFICITY ; F+H-2 REACTION ; VIBRATIONAL EXCITATIONS ; SCATTERING CALCULATIONS |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000377036600007 |
| 出版者 | ANNUAL REVIEWS |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/170582]  |
| 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 | Zhang, Dong H. |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, 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.Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA |
| 推荐引用方式 GB/T 7714 | Zhang, Dong H.,Guo, Hua,Johnson, MA,et al. Recent Advances in Quantum Dynamics of Bimolecular Reactions[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67,2016,67:135-158. |
| APA | Zhang, Dong H.,Guo, Hua,Johnson, MA,&Martinez, TJ.(2016).Recent Advances in Quantum Dynamics of Bimolecular Reactions.ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67,67,135-158. |
| MLA | Zhang, Dong H.,et al."Recent Advances in Quantum Dynamics of Bimolecular Reactions".ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67 67(2016):135-158. |
入库方式： OAI收割
来源：大连化学物理研究所
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