From transition paths to transition states and rate coefficients.

  title={From transition paths to transition states and rate coefficients.},
  author={Gerhard Hummer},
  journal={The Journal of chemical physics},
  volume={120 2},
Transition states are defined as points in configuration space with the highest probability that trajectories passing through them are reactive (i.e., form transition paths between reactants and products). In the high-friction (diffusive) limit of Langevin dynamics, the resulting ensemble of transition states is shown to coincide with the separatrix formed by points of equal commitment (or splitting) probabilities for reaching the product and reactant regions. Transition states according to the… CONTINUE READING

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