Publication | Open Access
Transition State in a Noisy Environment
83
Citations
26
References
2005
Year
EngineeringComputational ChemistryChemistryTransition StateNoiseTransition State TheoryReaction IntermediateMolecular KineticsBiophysicsPhysicsStochastic Dynamical SystemPhysical ChemistryReactivity (Chemistry)Stochastic ResonanceTime-dependent Dividing SurfaceNon-equilibrium ProcessSame Reactive TrajectoryNatural SciencesQuantum ChaosReaction ProcessChemical Kinetics
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.
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