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. 2017 Dec 21;148(12):123309. doi: 10.1063/1.5004767

FIG. 6.

FIG. 6.

Results from the 2D model and surface hopping simulations when the diffusion coefficients of molecule and apparatus are equal, Dx/Dq = 1. (a) Transition paths from the 2D (blue) and hopping (purple) simulations. The dashed red lines are the transition path limits. (b) Distribution of transition path times together with fits of Eq. (5) and mean transition path time (vertical lines). (c) The mean transition path shape with fits of Eq. (7) shown for both simulations.