中国科学院机构知识库网格系统: 检索

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	Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients 期刊论文 OAI收割 MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27 作者: Hong, Qizhen; Bartolomei, Massimiliano; Coletti, Cecilia; Lombardi, Andrea; Sun, Quanhua \| 收藏 \| 浏览/下载：44/0 \| 提交时间：2022/03/05 vibrational energy transfer inelastic scattering potential energy surface rate coefficients database quantum-classical nuclear dynamics quasi-classical trajectories
	Breakdown of the vibrationally adiabatic approximation in the early-barrier CH3 + HBr -> CH4 + Br reaction 期刊论文 OAI收割 THEORETICAL CHEMISTRY ACCOUNTS, 2017, 卷号: 136, 期号: 5 作者: Song, Hongwei; Ping, Leilei; Wang, Yan; Yang, Minghui \| 收藏 \| 浏览/下载：18/0 \| 提交时间：2017/12/06 Quantum Dynamics Quasi-classical Trajectory Polyatomic Reaction Vibrationally Adiabatic Approximation
	State-to-state quantum versus classical dynamics study of the OH plus CO -> H + CO2 reaction in full dimensions (J=0): checking the validity of the quasi-classical trajectory method 期刊论文 OAI收割 theoretical chemistry accounts, 2014, 卷号: 133, 期号: 10 作者: Liu, Shu; Chen, Jun; Fu, Bina; Zhang, Dong H. 收藏 \| 浏览/下载：30/0 \| 提交时间：2015/11/17 Complex-forming reaction State-to-state Quantum dynamics Quasi-classical trajectory
	Approximate Theoretical Methods for Nonadiabatic Dynamics of Polyatomic Molecules 期刊论文 OAI收割 PROGRESS IN CHEMISTRY, 2012, 卷号: 24, 期号: 6, 页码: 1105-1119 作者: Lan, Zhenggang; Shao, Jiushu 收藏 \| 浏览/下载：34/0 \| 提交时间：2012/11/11 nonadiabatic dynamics quantum-classical dynamics direct (on-the-fly) dynamics
	Global Dynamics and Transition State Theories: Comparative Study of Reaction Rate Constants for Gas-Phase Chemical Reactions 期刊论文 OAI收割 journal of computational chemistry, 2009, 卷号: 30, 期号: 2, 页码: 305-316 作者: Ju, Li-Ping; Han, Ke-Li; Zhang, John Z. H. 收藏 \| 浏览/下载：22/0 \| 提交时间：2010/11/30 quantum dynamics quasi-classical trajectory transition state theory rate constant recrossing PES