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Volumn 116, Issue 17, 2002, Pages 7335-7349
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Combining semiclassical time evolution and quantum boltzmann operator to evaluate reactive flux correlation function for thermal rate constants of complex systems
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Author keywords
[No Author keywords available]
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Indexed keywords
ALGORITHMS;
COMPUTER SIMULATION;
CONVERGENCE OF NUMERICAL METHODS;
CORRELATION METHODS;
DEGREES OF FREEDOM (MECHANICS);
ELECTRON TUNNELING;
MATHEMATICAL OPERATORS;
MATHEMATICAL TRANSFORMATIONS;
MOLECULAR DYNAMICS;
MONTE CARLO METHODS;
RANDOM PROCESSES;
RATE CONSTANTS;
QUANTUM TRANSITIONS;
THERMAL RATE CONSTANTS;
QUANTUM THEORY;
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EID: 0036572651
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1464539 Document Type: Article |
Times cited : (84)
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References (88)
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