Transition state in a noisy environment.
Transition state theory overestimates reaction rates in solution because conventional dividing surfaces between reagents and products are crossed many times by the same reactive trajectory. We describe a recipe for constructing a time-dependent dividing surface free of such recrossings in the presence of noise. The no-recrossing limit of transition state theory thus becomes generally available for the description of reactions in a fluctuating environment.
Bartsch
Thomas
T
Center for Nonlinear Science, Georgia Institute of Technology, Atlanta, Georgia 30332-0430, USA.
Hernandez
Rigoberto
R
Uzer
T
T
D000465:Algorithms; D003198:Computer Simulation; D008956:Models, Chemical; D017711:Nonlinear Dynamics; D009991:Oscillometry / Q000379:methods*; D013269:Stochastic Processes