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Volumn 116, Issue 8, 2002, Pages 3223-3233
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Centroid-based methods for calculating quantum reaction rate constants: Centroid sampling versus centroid dynamics
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Author keywords
[No Author keywords available]
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Indexed keywords
APPROXIMATION THEORY;
COMPUTATIONAL METHODS;
COMPUTER SIMULATION;
CORRELATION THEORY;
HARMONIC ANALYSIS;
MOLECULAR DYNAMICS;
MONTE CARLO METHODS;
RATE CONSTANTS;
SAMPLING;
THERMODYNAMICS;
CENTROID MOLECULAR DYNAMICS (CMD);
QUANTUM THEORY;
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EID: 0037154556
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1445120 Document Type: Article |
Times cited : (30)
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References (59)
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