✦ LIBER ✦

Theoretical representation of solvation in biochemical systems: From discrete solute-solvent interactions to bulk solvation

✍ Scribed by Modesto Orozco; J. M. López; C. Colomines; C. Alhambra; M. A. Busquets; F. J. Luque

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 660 KB
Volume: 60
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1996)60:6<1179::aid-qua6>3.0.co;2-x

No coin nor oath required. For personal study only.

✦ Synopsis

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.