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Theoretical representation of solvation in biochemical systems: From discrete solute-solvent interactions to bulk solvation |
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| Authors: | Modesto Orozco J M Lpez C Colomines C Alhambra M A Busquets F J Luque |
| Abstract: | The interaction between solutes and simple solvents in dilute solutions is analyzed in a systematic way. Different theoretical methods to describe specific solute-solvent interactions and general solvation effects are presented. Finally, the importance of solvent-induced changes in solute properties is discussed through the use of mixed quantum mechanics/classical mechanics strategies. © 1996 John Wiley & Sons, Inc. |
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