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. 2018 Feb 21;3(2):2130–2140. doi: 10.1021/acsomega.7b01425

Figure 4.

Figure 4

Top: Variation of the relative error in the calculation of the transition state energy (ΔG) from the Marcus–Hush formula with different curvatures: k1, k2, 1, 2, 3, 4 as a function of the curvature ratio, k1/k2, for fixed k2 = 0.05711. Bottom: Detail of the previous plot. Percentage can be obtained from the plots (see text).