Table 2. Estimated Electron Transfer Times Obtained from Simulations of Electron Propagation along the Trp-Tetrada.
Results are shown for the numerical fits of the solution of eq 1 to the computed data for the 1-ns simulation and 630-ps simulations, averaged over 50 and 27 independent simulations, respectively. In the latter case only those simulations where TrpCH·+ or TrpDH·+ obtained an occupancy of at least 0.3 were considered. The values have been rounded to the nearest 10 ps.