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The free energy decomposition analysis suggests that not only the OC-O bond but also two O-Pt bonds are responsible for the free energy change. The further CMD simulations along selected CVs based on the insights from our protocol capture different reaction stages and give solid estimations of free energy barriers.Surface electric charge of dispersed particles is an essential determinant of physicochemical properties, coagulation and flocculation processes, and stability of colloidal solutions. Size-dependence of surface potential, char