Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributions

Guerard JJ, Tentscher PR, Seijo M & Arey JS
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Guerard, J. J., Tentscher, P. R., Seijo, M., & Arey, J. S. (2015). Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributions. Physical Chemistry Chemical Physics, 17(22), 14811-14826. https://doi.org/10.1039/c4cp04760e