Quantumchemical calculations
To assess absolute chemical potentials of the proton in solution, we developed the rCCC model for the computation of Gibbs solvation energies of the proton in arbitrary solvents.
Above: Comparison of the accessible absolute Brønsted acidities given by their ΔsolvGo(H+) (eq. (2)) or pHabs (eq. (3)) values in different media as expressed by the width of their protochemical window (= pKAP).