Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of Aqueous Acid Dissociation Constants - Kelly, Casey P; Cramer, Christopher J; Truhlar, Donald G (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006)
Keywords: Acids - chemistry; Algorithms; Anions; Bicarbonates - chemistry; Hydrogen Bonding; Solvents - chemistry; Thermodynamics; Water - chemistry