Minnesota Solvation Database Home Page



Date of this version of the database: November 26, 2012

Minnesota Solvation Database – version 2012

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 2012, University of Minnesota,
    Minneapolis, 2012.

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

Abstract

The Minnesota Solvation Database – version 2012 presents a collection of 3037 experimental solvation free energies
and transfer free energies for 790 unique solutes (neutrals and ions) in 92 solvents and gas-phase molecular geometries
in Cartesian coordinates for the corresponding solutes.

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The distributed version of the database includes unpublished materials and requires a license for commercial use.

For academic, government, and other non-profit organizations the database is free of charge and can be downloaded at:
https://doi.org/10.13020/3eks-j059

A commercial license is available for a fee of $6000 (one-time payment). Commercial organizations may purchase a license via the University of Minnesota Technology Commercialization Office or via email at exprlic@umn.edu.
Inquiries about commercial licenses may also be directed to exprlic@umn.edu.

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 Available as PDF file Unpublished errata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



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