Fig. 2: Variations in ROEF vectors categorized into four reaction types and their corresponding ROEF changes.
a Conceptual diagrams of the three-body model depicting ROEF vectors for four reaction types, with solid and dotted arrows representing electron transfer before and after the TS, respectively; b Representative reactions for each type, illustrating ROEF variations along normalized IRCs. The force magnitudes for the B-C and C-A bonds, FBC  =  ∣FBC∣ and FCA = ∣FCA∣, are shown as dotted and dashed curves, respectively, with the combined ROEF (FROEF  =  FCA  −  FBC) depicted as a solid curve. Definitions of FBC and FCA vectors are provided in Fig. 1b. Dash-dot lines indicate TS locations, while dash-dot-dot lines mark points where FROEF reaches its maximum. For open-shell reactions, the spin states of the reactive orbitals contributing the largest ROEF values are noted in parentheses next to the reaction formulas. For ROEF variations in reaction pathways other than those presented here, see Figs. S1 and S2.
