Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2005-06-09
Phys. Rev. Lett. 95 (2005) 058301
Physics
Condensed Matter
Statistical Mechanics
Scientific paper
10.1103/PhysRevLett.95.058301
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
Hernandez Rigoberto
Uzer Turgay
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