… faster than predicted on the basis of nonspecific solvation models. Evidence of specific …
For methanol we use the H1 model 42 and for water the TIP4P model. The site parameters …

… solvent models. We report detailed computer simulation studies of ion solvation dynamics in
water– methanol and water–… Ladanyi16 that in water– methanol systems hydrogen bonding …

… ab initio ion−solvent potentials and the same model of solvent molecules. The type of ion−…
for methanol−water solutions of sodium halides, NaCl, and NaI, and fictitious solutions of …

… Thus, another way to consider the results provided in this report is to conclude that accurate
models of apolar solvation in mixed-aqueous solvents cannot rely solely upon accounting …

… solvent around a large solute–solvent cluster. In this work, a novel strategy to simulate methanol
solutions … hybrid implicit/explicit flexible solvent model, nonperiodic boundary conditions…

… of some solvent-related properties of binary methanol–water … % volume percent of methanol.
Abstract factor analysis of the … solvation model is needed to predict the solvent–solvent and …

… shifts of the OH stretch mode for water and methanol when passing from gas to liquid phase.
Both a purely continuum solvation model (here the polarizable continuum model) and its …

… solvation in the SM8 model. We also compare the accuracies of the SM8 model with those of
other continuum solvation models… the SM8 models to compute ionic solvation free energies, …

… The solvation free enthalpies of water and methanol in water were … in the methanol–water
solution at the microscopic level, with about 76% water molecules in a 7:3 methanol–water …

… of view of various solvation models. Large structural changes … “solvent” (eg, water in
methanol-rich solutions tending to be a single H-bond acceptor, or methanol in water-rich solutions …