CCL: MN-SOL Database

 Sent to CCL by: Christopher Cramer [cramer-x-umn.edu]
 > In addition, where can I find this Cramer database for 2343 molecule?
 > Thanks in advance
 > W. Flak
 We (Don Truhlar and I) call it the Minnesota Solvation Database.
 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.
 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 The distributed version of the database includes unpublished licensed materials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. A commercial license
 is available for a fee of $6000.
 All details/links are at:
 http://comp.chem.umn.edu/mnsol/
 Best regards,
 Chris Cramer
 P.S. Andreas Klamt was correct in noting that several of our papers, including
 the one that he cited, have included the full set of solvation free energies in
 the supporting information. The database goes beyond that to provide the
 additional information listed above.
 --
 Christopher J. Cramer
 Elmore H. Northey Professor
 University of Minnesota
 Department of Chemistry
 207 Pleasant St. SE
 Minneapolis, MN 55455-0431
 --------------------------
 Phone:  (612) 624-0859 || FAX:  (612) 626-7541
 Mobile: (952) 297-2575
 email:  cramer ~~ umn.edu
 jabber:  cramer ~~ jabber.umn.edu
 http://pollux.chem.umn.edu/~cramer
 (website includes information about the textbook "Essentials
     of Computational Chemistry:  Theories and Models, 2nd Edition")