Herein, ∆H equates to the enthalpic component; ∆EZPE is the difference in zero-point energy, and T∆S is the entropic component, under standard conditions, T = 298.15 K, P = 1.0 atm. The entropic and zeropoint terms were computed using harmonic vibrational frequencies. Cramer and co-workers reported the free energy change for the standard hydrogen electrode (SHE) half-reaction (½ H2→ H + + e -) equates to 4.24 eV. This was used an external reference for all computed potentials.