… of solvation and its corresponding thermodynamics. … solvation of nonionic solutes in various
solvents, ranging from very dilute solutions through concentrated solutions, to the solvation …

… solvation thermodynamics of generic hydrophilic solutes, by direct determination of their
solvation … To that end we determine the solvation free energy ΔF as a function of the temperature …

… This paper is concerned with water and aqueous solutions, and the emphasis is on the …
on the solvation thermodynamics. On the one hand we are interested in the "structure of water" …

… To calculate the solvation energy and entropy per solute molecule (aEool INu and TliSool
… This implies that it is possible to calculate structural effects and solvation thermodynamics, …

… dominance of solute to … solute would be well solvated, while it was poorly solvated (and
hence more reactive) if they were weak. In mixed solvents, the solute was preferentially solvated …

… The results are used to extract numerical values of the solute−solvent mean interaction
energy and associated fluctuation entropy directly from experimental solvation thermodynamic …

… ,8 we analyze the solvation thermodynamics for the same model solutions. The solvent is
a threesite water model similar to Jorgensen's TIP3P water.34 The solutes are Lennard-Jones …

… As we shall see in Section 1.4, in the limit of very dilute solutions some of the thermodynamic
quantities of solvation, as defined above, coincide with the conventional quantities of …

… features account for differences between excess thermodynamic properties measured under
different conditions. Finally, the model solvents and solutes considered in the present work …

… the thermodynamic and vibrational properties of water in the three-dimensional environment
of solvated … By applying the method to small molecular solutes with an anisotropic solvation …