A novel path sampling method for the calculation of rate constants

Journal of Chemical Physics

Volumn 118, Issue 17, 2003, Pages 7762-7774

  Van Erp, Titus S ^a   Moroni, Daniele ^a   Bolhuis, Peter G ^a  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CONVERGENCE OF NUMERICAL METHODS; EQUATIONS OF MOTION; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PHASE SPACE METHODS; PHASE TRANSITIONS;

DIATOMIC MOLECULE; HIGH FREE ENERGY BARRIERS; PATH SAMPLING METHOD; TRANSITION STATE THEORY;

RATE CONSTANTS;

EID: 0038515443     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1562614     Document Type: Article

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