Reactions in viscous media: Potential and free energy surfaces in solvent-solute coordinates

Molecular Physics

Volumn 107, Issue 21, 2009, Pages 2283-2291

  Huber, Liam ^a   Edwards, Essex ^a   Basilevsky, Michael V ^b   Weinberg, Noham ^a,c  

^a UNIVERSITY OF THE FRASER VALLEY   (Canada)

^b PHOTOCHEMISTRY CENTER   (Russian Federation)

^c SIMON FRASER UNIVERSITY   (Canada)

Author keywords

Molecular dynamics simulations; Molecular dynamic trajectories; Reaction specific solvent coordinate

Indexed keywords

DYNAMIC TRAJECTORIES; FREE ENERGY SURFACE; ISOMERISATION REACTIONS; LIQUID PHASE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR-DYNAMIC TRAJECTORIES; REACTION-SPECIFIC SOLVENT COORDINATE; SOLVENT COORDINATES; VISCOUS SOLVENTS;

FREE ENERGY; MOLECULAR DYNAMICS; SIMULATORS; SOLVENTS; TWO DIMENSIONAL;

REACTION KINETICS;

EID: 70449113387     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970903272889     Document Type: Article

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