Minnesota Solvation Database Home Page



Date of this version of the database: March 11, 2009

Minnesota Solvation Database – version 2009

If this database is used for published work, the following citation should be given:

    Marenich, A. V.; Kelly, C. P.; Thompson, J. D.; Hawkins, G. D.;
    Chambers, C. C.; Giesen, D. J.; Winget, P.; Cramer, C. J.; Truhlar, D. G.
    Minnesota Solvation Database – version 2009, University of Minnesota,
    Minneapolis, 2009.

One or more references to the original literature should be given as well.
These references are given as refs 1-8 in the final section of the manual.

Abstract

The Minnesota Solvation Database – version 2009 presents a collection of 2923 experimental solvation free energies for
731 unique solutes in 91 solvents (water and 90 organic solvents) and gas-phase molecular geometries in Cartesian coordinates
for the corresponding solutes. All of the 731 solutes in this database (482 neutrals in 91 solvents; 218 bare singly-charged ionic
solutes in four solvents, and 31 singly-charged solutes clustered with one solvent molecule in water) contain at most the following
elements: H, C, N, O, F, Si, P, S, Cl, and Br.

Users Manual

PDF format

Availability

The distributed version of the database is available for downloading (Web access only) at the University of Minnesota.
The distributed version of the database includes unpublished licensed materials and requires a licence. To obtain the database,
print, fill out, and sign the license below and either fax it to Donald G. Truhlar at 612-626-9390 or scan it and send it as
an e-mail attachment to Software Manager (software at comp.chem.umn.edu). You will then receive the password required
for downloading by email.

For non-profit organizations the license is free of charge and can be downloaded here:
User or group license form for non-profit organizations

A commercial license is available for a fee of $6000. The commercial license form may be downloaded here:
Commercial License Form.


Download Minnesota Solvation Database – version 2009

Links to other pages of interest

Review Articles

"Solvation Thermodynamics and the Treatment of Equilibrium and Nonequilibrium Solvation Effects by Models Based on Collective Solvent Coordinates,"
C. J. Cramer and D. G. Truhlar, in Free Energy Calculations in Rational Drug Design, edited by M. R. Reddy and M. D. Erion
(Kluwer Academic/Plenum, New York, 2001), pp. 63-95. Available as PDF file Unpublished errata

“SMx Continuum Models for Condensed Phases,” C. J. Cramer and D. G. Truhlar, in Trends and Perspectives in Modern Computational Science,
Lecture Series on Computer and Computational Sciences, Vol. 6, edited by G. Maroulis and T.E. Simos (Brill/VSP, Leiden, 2006), pp. 112-139. Available as PDF file


This document last modified Monday, 16-Mar-2009 09:52:33 CDT
Updated by:  Software Manager