Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges

Maximiliano Riquelme, Alejandro Lara, David L. Mobley, Toon Verstraelen, Adelio R. Matamala, Esteban Vöhringer-Martinez. Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges. Journal of Chemical Information and Computer Sciences, 58(9):1779-1797, 2018. [doi]

Abstract

Abstract is missing.