Fig. 2. Regression analysis for a CoIII oxo. The {ΔGPT} fit is shown in black with predicted values computed using the indicated formula; R2 = 0.94 and LOO R2 = 0.93. The {ΔGPT, ΔGPCET} fit is shown in red with predicted values computed using the indicated formula; R2 = 0.97 and LOO R2 = 0.95. The negative barriers are due to overestimation of the entropy of association. The grey line marks where the predicted barrier matches the experimentally determined barrier.
