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Publications by C. W. Kehoe
Modeling Aqueous Solvation With Semi-Explicit Assembly
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
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Methods to Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous pKa Values: Comparison Between Choosing an Optimal Theoretical Level, Solute Cavity Scaling, and Using Explicit Solvent Molecules
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