For a few selected molecules, all relevant transition states and intermediates along the reaction path are located and harmonic frequencies calculated using Gaussian16, the B3LYP-D3 functional with the 6-31+G(d,p) basis set and the SMD solvent model for methanol. The Gibbs free energy is calculated with a standard state of 1 M for all solutes and 24.9 M for methanol. Furthermore, vibrational frequencies below 20 cm -1 are raised to 20 cm -1 before calculating vibrational contributions to the enthalpy and entropy following the approach of Ribeiro et al. .