Subject: Solvation free energies in water

From: "Christopher Cramer" <[email-masked]>
Date: Wed, 27 Jan 93 8:55:33 CST

Leading experimental compilations of free energies (and other
thermodynamic variables) in water include:

Hine and Mookerjee, J. Org. Chem. 1975, 40, 292.

Cabani et al., J. Solution Chem. 1981, 10, 563.

Ben-Naim and Marcus, J. Chem. Phys., 1984, 81, 2016.

Pearson, JACS, 1986, 108, 6109. (Lots of ions in this one).

   As for theoretical work, there are simply too many workers in the field,
using too large a variety of methods to attempt to summarize them all without
missing someone and boring many members of the list. I will content myself
with the charlatan's approach of providing a couple of references to our own
work on semiempirical continuum models, and plead that within the references
of the following will be found many leading articles from other workers which
employ other methodologies.

Cramer and Truhlar in:

Journal of Computer-Aided Molecular Design, latest issue, review.

J. Comput. Chem. 1992, 9, 1089.

Science, 1992, 256, 213.

JACS, 1991, 113, 8305.

-- 

Christopher J. Cramer
University of Minnesota
Department of Chemistry
207 Pleasant St. SE
Minneapolis, MN 55455-0431
(612) 624-0859