From chemistry-request@ccl.net Thu Mar 4 11:16:29 2004 Received: from FRESNO.NET.UNIOVI.ES (fresno.net.uniovi.es [156.35.11.2]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i24GGSd4022552 for ; Thu, 4 Mar 2004 11:16:28 -0500 Received: from CONVERSION-DAEMON.fresno.net.uniovi.es by fresno.net.uniovi.es (PMDF V6.2-X17 #30549) id <01L7C59G470G003JH5.-at-.fresno.net.uniovi.es> for chemistry.-at-.ccl.net; Thu, 04 Mar 2004 17:18:04 +0100 (MET) Received: from webuniovi.innova.uniovi.es (webuniovi.innova.uniovi.es [156.35.33.99]) by fresno.net.uniovi.es (PMDF V6.2-X17 #30549) with ESMTP id <01L7C59FTR7W003D7V.-at-.fresno.net.uniovi.es> for chemistry.-at-.ccl.net; Thu, 04 Mar 2004 17:18:04 +0100 (MET) Received: from localhost ([127.0.0.1] helo=cachewww2.si.uniovi.es) by webuniovi.innova.uniovi.es with esmtp (Exim 3.35 #1 (Debian)) id 1AyvXI-0006PF-00 for ; Thu, 04 Mar 2004 17:17:24 +0100 Date: Thu, 04 Mar 2004 17:12:41 +0100 From: =?UNKNOWN?Q?Rub=E9n?= Meana =?UNKNOWN?Q?Pa=F1eda?= Subject: Radius solvent of tert-butanol X-Sender: rubenmp.-at-.correo.uniovi.es To: chemistry.-at-.ccl.net Reply-to: rubenmp.-at-.correo.uniovi.es Message-id: MIME-version: 1.0 X-Mailer: Mailreader.com v2.3.29 (2001-07-20) Content-type: text/plain; charset=iso8859-1 Content-transfer-encoding: 8BIT X-Originating-Host: cachewww2.si.uniovi.es [156.35.14.7]; Thu, 4 Mar 2004 16:17:24 GMT X-Browser: Mozilla/4.0 (compatible; MSIE 6.0; Windows NT 5.1), JavaScript: On Hello CCLers, I4m trying to carry out single point PCM calculations in tert- butanol with ECP4s. Where can I obtain the solvent-radius of tert- butanol? and how is the input file (gaussian) of this type of calculations? Thanks in advanced Rubin