Unless explicitly mentioned, we report the predicted chemical reactions and their enthalpies after implementing two thermodynamic corrections on the DFT data. The first correction deals with the computed formation energies (FEs) of oxygen and sulfur-containing compounds, affected by the significant systematic overbinding error for sulfur and oxygen molecules introduced by the generalized gradient approximation (GGA). The second thermodynamic correction aligns the computed FEs with the experimental formation energies reported in the literature. The chemical formulae of these compounds, and their experimental formation energies, are listed in Table . Reactions and enthalpies incorporating only the first correction are presented in Table and Table .