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. 2024 Sep 16;14(19):14486–14496. doi: 10.1021/acscatal.4c03368

Figure 4.

Figure 4

Effect of the R1 and R2 substituents on ΔΔGGC – ΔGO). Positive ΔΔG values indicate the superiority of path O (represented by green circles), while negative ΔΔG values suggest greater favorability for path C (represented by orange circles). The diameter of each circle is proportional to the magnitude of ΔΔG. Small circles denote a minor energy difference in the activation barrier values between the two pathways.