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Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH+D2: Checking the validity of the QCT method

机译：基准多原子反应OH + D2的经典与量子振动态分布：检验QCT方法的有效性

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LBonnet; JEspinosaGarcia; JCCorchado; 刘舒; 张东辉;
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年度 2011
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正文语种英
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1. Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH + D_2: Checking the validity of the QCT method [J] . Bonnet L., Espinosa-García J., Corchado J.C., Chemical Physics Letters . 2011,第4a6期

机译：基准多原子反应OH + D_2的经典振动与量子振动状态分布：检查QCT方法的有效性
2. State-to-state quantum versus classical dynamics study of the OH + CO ->H + CO2 reaction in full dimensions (J = 0): checking the validity of the quasi-classical trajectory method [J] . Shu Liu, Jun Chen, Bina Fu Theoretical chemistry accounts . 2014,第10期

机译：OH + CO-> H + CO2反应的全状态（J = 0）状态量子与经典动力学的比较：检验准经典轨迹方法的有效性
3. Evaluation of vibrational partition functions for polyatomic systems:quantum versus classical methods for H_2O and Ar...CN [J] . Antonio Riganelli, Frederico V.Prucente, Antonio J.C.Varandas Physical chemistry chemical physics: PCCP . 2000,第18期

机译：多原子体系振动分配函数的评估：H_2O和Ar ... CN的量子方法与经典方法
4. Vibrational mode effects and energy disposal in reactions of polyatomic ions [C] . Scott L. Anderson, Univ. of Utah, Salt Lake City, Laser Techniques for State-Selected and State-to-State Chemistry III . 1995

机译：多原子离子反应中的振动模态效应和能量处置
5. SYSTEMATIC STUDIES OF MOLECULAR VIBRATIONAL ANHARMONICITY AND VIBRATION-ROTATION INTERACTION BY SELF-CONSISTENT-FIELD HIGHER DERIVATIVE METHODS: APPLICATIONS TO ASYMMETRIC AND SYMMETRIC TOP AND LINEAR POLYATOMIC MOLECULES [D] . CLABO, DAVID ALLEN, JR. 1987

机译：自洽场高级导数法对分子振动无性和振动-旋转相互作用的系统研究：在不对称和对称顶部及线性多原子分子中的应用
6. Interfacing ab initio Quantum Mechanical Method with Classical Drude Osillator Polarizable Model for Molecular Dynamics Simulation of Chemical Reactions [O] . Zhenyu Lu, Yingkai Zhang -1

机译：从头开始的量子力学方法与经典Drude振荡器极化模型的接口用于化学反应的分子动力学模拟
7. Molecular dynamics approach to vibrational energy relaxation: Quantum-classical versus purely classical nonequilibrium simulations [O] . A. A. Neufeld, D. Schwarzer, J. Schroeder, 2003

机译：振动能量松弛的分子动力学方法：量子古典与纯粹的典型非QuiBiBribium模拟
8. CLASSICAL AND QUANTUM REACTION PROBABILITIES AND THERMAL RATE CONSTANTS FOR THE COLLINEAR H+H2 EXCHANGE REACTION WITH VIBRATIONAL EXCITATION [R] . JOEL M. BOWMAN, ARON KUPPERMANN, A. A. Noyes 1971

机译：具有振动激励的共线H + H2交换反应的经典和量子反应概率和热速率常数

Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH+D2: Checking the validity of the QCT method

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