305 citations · 1.7k across the 51 of their papers we have counts for
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Molecular theories and simulation of ions and polar molecules in water
Gerhard Hummer, Lawrence R. Pratt, Angel E. Garcia
Recent developments in molecular theories and simulation of ions and polar molecules in water are reviewed. The hydration of imidazole and imidazolium solutes is used to exemplify…
Hydrophobic Effects on a Molecular Scale
G. Hummer, S. Garde, A. E. García +2
A theoretical approach is developed to quantify hydrophobic hydration and interactions on a molecular scale, with the goal of gaining insight into the molecular origins of hydropho…
Theories of Hydrophobic Effects and the Description of Free Volume in Complex Liquids
Lawrence R. Pratt, Shekhar Garde, Gerhard Hummer
Recent progress on molecular theories of hydration of nonpolar solutes in aqueous solution has led to new ways of thinking about the old issue of free, or "available," volume in li…
Quasi-chemical Theories of Associated Liquids
Lawrence R. Pratt, Randall A. LaViolette
It is shown how traditional development of theories of fluids based upon the concept of physical clustering can be adapted to an alternative local clustering definition. The altern…