The SMD implicit solvation model has been reported to agree well with experimental data for computation of reduction potentials of quinone derivatives. Using the optimised gas-phase geometries, single-point energy calculations were performed using the SMD model using dimethylsulfoxide (DMSO) as the solvent. Gas-phase geometries were considered throughout to eliminate dependency on solvent model and this can be justified as there is almost no significant change in geometry upon optimisation in an implicit solvation model. Previously, it has also been shown that for quinones, there is no real added value of performing geometry optimisations with implicit solvation, not to mention that they are also computationally more demanding. The reduction potentials for the electron transfer steps are calculated by considering the half-reaction