Results from Table 2 illustrate that while interfragment distance has
not significantly changed (6.89-6.95 Å), the orientation factor has
decreased from ~49% to 0.06 % which led to significant
reduction of the screened electronic coupling to 3.24
cm-1 which, in turn, reduced the EET rate by a factor
of ~ 336 to 3.9×10-3ps-1. Thus, effects of mutual ordinations of donor and
acceptor fragments can be explored with PyFREC using the methods
described above.