… molecule immersed in a large number of solvent molecules each of which is modeled in
atomistic detail. The calculation of solvation free … of the molecules in the system (using molecular …

… study of solvent effect on chemical processes in … theory for electron-transfer reactions to
realize the solvent reorganization energy. It has been recently generalized to explain the solvent …

… A wide variety of theoretical and empirical solvation … For a recent very thorough study of
two cases in which a ketone and a … effect of solvent on a wide variety of chemical phenomena …

… value in a solvent-water mixture than in water or solvent alone. … or solvate formed in systems
of dicarboxylic acids, water, and electron-donor solvents takes theform of water molecules …

… Solvation dynamics studies provide the time scale of solvent reorganization by observing
the time-dependent transition of a laser-excited dye molecule's fluorescence emission …

… The introduction into PCM of solvent molecules treated at the QM level may be beneficial, …
for a more refined treatment with respect to what is given by the continuum solvation model. …

… the p*, a and b values for solvents in addition to the usual … , solvent-dependent shifts from
19F and 15N NMR chemical shifts of suitable probes have been utilized in interpreting solvent …

… -aromatic molecules, following the … solvation in these solvents. Table 3 Experimental and
predicted values for the Gibbs energy of solvation (in kJ mol −1 ) of benzene in different solvents…

… versus when solvated, ie the solvent shift energy. , corresponds to the solvated versus vapor
… ketones and other organic solutes, and coupling these results with spectroscopic information…

… molecules hydrogen bonded to the solute to represent first solvation shell interactions along
with an implicit solvent … the aliphatic ketones and the β-dicarbonyl molecules. Highlighting …