The conditions used to generate the experimental quantities are summarized in Table . In previous studies, All SEEKR calculations had been performed at 298.15 K, but in this study, we simulated the 1-naphthyl-ethanol and 2-naphthyl-ethanol guest compounds at 293.15K to match experimental more closely. As in our previous study, we elected to perform all MD and BD simulations in pure water due to the difficulty of correctly representing divalent electrolytes in MD and also in the Poisson-Boltzmann formulation used in BD.