Recent Advances in Quantum Dynamics of Bimolecular Reactions

doi:10.1146/annurev-physchem-040215-112016

	Recent Advances in Quantum Dynamics of Bimolecular Reactions
	Zhang, Dong H.1,2; Guo, Hua 3; Johnson, MA ; Martinez, TJ
刊名	ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67
	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
出版者	ANNUAL REVIEWS
WOS记录号	WOS:000377036600007
内容类型	期刊论文
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.