Quantifying solvation energies at solid/liquid interfaces using continuum solvation methods

Gray, CM; Saravanan, K; Wang, GF; Keith, JA

Wang, GF (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15260 USA.; Wang, GF; Keith, JA (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15260 USA.

MOLECULAR SIMULATION, 2017; 43 (5-6): 420

Abstract

To investigate the degree that efficient computational methods can be used for modelling adsorbates at solid/liquid interfaces, we have benchmarked ga......

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