From chemistry-request: at :ccl.net Wed May 5 08:34:13 2004 Received: from bonito.ulb.ac.be (mailhost.ulb.ac.be [164.15.59.220]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i45DYBkh024538 for ; Wed, 5 May 2004 08:34:12 -0500 Received: from mach.vub.ac.be (mach.ulb.ac.be [164.15.128.8]) by bonito.ulb.ac.be (8.8.8/3.17.1.ap (resu)) id PAA11896; Wed, 5 May 2004 15:34:38 +0200 (MEST) for Received: from ulb.ac.be (chimorg-pc5.ulb.ac.be [164.15.61.104]) by mach.vub.ac.be (Postfix) with ESMTP id D50A42304 for ; Wed, 5 May 2004 15:35:59 +0200 (CEST) Message-ID: <409968A6.6080705_at_ulb.ac.be> Date: Thu, 06 May 2004 00:20:22 +0200 From: Christophe Biot Organization: ULB User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:0.9.4) Gecko/20011126 Netscape6/6.2.1 X-Accept-Language: fr, en-us MIME-Version: 1.0 To: Liste CCL Subject: solvent temperature epsilon Content-Type: text/plain; charset=ISO-8859-1; format=flowed X-Spam-Status: No, hits=3.7 required=7.5 tests=DATE_IN_FUTURE_06_12, LINES_OF_YELLING,MY_BAD_DOT autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id i45DYDkh024548 Dear All, I have a question regarding a Gaussian03 frequency job in a solvent at different temperatures. Could someone tell me if the dielectric constant should be specify in the input file for each solvent and at the considered temperature, or if the value is automatically known? Do you have any bibliographic references to obtain these values ? Best regards -- ******************************************************** BIOT Christophe Bioinformatique Ginomique et Structurale, CP 165/61 Universiti Libre de Bruxelles 50 Av. F.D. Roosevelt 1050 Bruxelles, BELGIQUE Phone: 32-2-650 3001 Fax: 32-2-650 3575 E-mail:cbiot_at_ulb.ac.be ******************************************************** THE ... SCIENTISTS WERE WRONG ... THE MOST PERSISTENT PRINCIPLES OF THE UNIVERSE WERE ACCIDENT AND ERROR. -- FRANK HERBERT IN DUNE