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A five-dimensional quantum dynamics study of the F(P-2)+CH4 reaction 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 24
Authors:  Chu, Tianshu;  Han, Keli;  Espinosa-Garcia, Joaquin
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Angular Momentum  Atom-molecule Reactions  Fluorine  Ground States  Organic Compounds  Potential Energy Surfaces  Reaction Kinetics Theory  Reaction Rate Constants  Resonant States  Rotational-vibrational States  
Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations (vol 130, 174102, 2009) 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 4
Authors:  Sun, Zhigang;  Lee, Soo-Y.;  Guo, Hua;  Zhang, Dong H.
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Atom-molecule Reactions  Hydrogen Compounds  Hydrogen Neutral Atoms  Reaction Kinetics Theory  
Frozen Gaussian series representation of the imaginary time propagator theory and numerical tests 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 4, 页码: 044116-1-044116-9
Authors:  Zhang, Dong H.;  Shao, Jiushu;  Pollak, Eli;  Eli Pollak
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Boltzmann Equation  Convergence  Gaussian Processes  Iterative Methods  Mathematical Operators  Matrix Algebra  Quantum Theory  Tunnelling  
Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 130, 期号: 17, 页码: 174102-1-174102- 11
Authors:  Sun, Zhigang;  Lee, Soo-Y.;  Guo, Hua;  Zhang, Dong H.;  Guo H(郭华);  Zhang DH(张东辉)
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Chebyshev Approximation  Deuterium  Fluorine  Hydrogen  Hydrogen Compounds  Molecule-molecule Reactions  Oxygen  Probability  Reaction Kinetics Theory  
Nonadiabatic effects in the H+H-2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 130, 期号: 14
Authors:  Chu, Tian-Shu;  Han, Ke-Li;  Hankel, Marlies;  Balint-Kurti, Gabriel G.;  Kuppermann, Aron;  Abrol, Ravinder
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Atom-molecule Reactions  Chemical Exchanges  Ground States  Hydrogen Neutral Atoms  Hydrogen Neutral Molecules  Potential Energy Surfaces  Reaction Kinetics Theory  Vibrational Modes