Using the FB-ENM path as the initial path, we searched for a TS using the direct MaxFlux method with the DFT potential energy. A TS resembling the structure in Figure 11a left was found (Figure ). By adding small displacements to the TS structure along the vibrational vector of the imaginary frequency mode and reducing the energy along the intrinsic reaction coordinate, we reached the initial state and an intermediate stable state (Figure ). In this intermediate, the two anthryl groups are parallel, similar to the structure at the middle of the FB-ENM path (Figure center). The TS and intermediate state energies are 42.8 and 41.2 kcal/mol, respectively, relative to the initial or final state.