Simulating the kinetics and thermodynamics of transitions via forward flux/umbrella sampling

Journal of Physical Chemistry B

Volumn 113, Issue 18, 2009, Pages 6434-6445

  Borrero, Ernesto E ^a   Escobedo, Fernando A ^a  

^a Cornell University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CIVIL ENGINEERING; PHASE SPACE METHODS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS;

COMPLEX KINETICS; COMPUTING EQUILIBRIA; EQUILIBRIUM DISTRIBUTIONS; FREE-ENERGY LANDSCAPE; INTERMEDIATE STATE; KINETIC DATA; KINETICS AND THERMODYNAMICS; META-STABLE STATE; MULTIPLE WINDOWS; ORDER PARAMETER; PHASE SPACES; RARE EVENT SIMULATION; TEST SYSTEMS; TRANSITION PATHS; UMBRELLA SAMPLING;

PROBABILITY DISTRIBUTIONS;

EID: 66349113772     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809103k     Document Type: Article

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