From chemistry-request@server.ccl.net Thu Dec 20 17:22:13 2001 Received: from carbon.chem.ucla.edu ([128.97.35.55]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id fBKMMDS03901 for ; Thu, 20 Dec 2001 17:22:13 -0500 Received: from silicon.chem.ucla.edu (silicon.chem.ucla.edu [169.232.135.10]) by carbon.chem.ucla.edu (8.11.4/8.11.4) with ESMTP id fBKMLlT24225; Thu, 20 Dec 2001 14:21:47 -0800 (PST) Received: from localhost (mdb@localhost) by silicon.chem.ucla.edu (8.11.1/8.11.1) with ESMTP id fBKMLuJ03029; Thu, 20 Dec 2001 14:21:56 -0800 (PST) X-Authentication-Warning: silicon.chem.ucla.edu: mdb owned process doing -bs Date: Thu, 20 Dec 2001 14:21:56 -0800 (PST) From: "Michael D. Bartberger" To: Xavier Girones cc: Subject: Re: CCL:Solvation in Gaussian within AM1 In-Reply-To: <20011220210245.79971.qmail@web9604.mail.yahoo.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=X-UNKNOWN Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from QUOTED-PRINTABLE to 8bit by server.ccl.net id fBKMMDS03902 Hello Xavier: If you are interested in solvation energies computed from semi-empirical based wavefunctions, you may wish to look into the AMSOL package developed by Cramer and coworkers at the University of Minnesota. Regards, -Mike On Thu, 20 Dec 2001, Xavier Girones wrote: > Dear CCL-clients, > > Is there any way to similate solvent effects with > Gaussian within the AM1 level of theory? I have been > browsing the manual, and it seems that solvation is > only available for HF methods and above. Any cue? > > Xavier Gironés > Institute of Computational Chemistry > University of Girona > Girona, Spain > > __________________________________________________ > Do You Yahoo!? > Check out Yahoo! Shopping and Yahoo! Auctions for all of > your unique holiday gifts! Buy at http://shopping.yahoo.com > or bid at http://auctions.yahoo.com > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > >