From chemistry-request -x- at -x- ccl.net Thu Nov 27 10:49:57 2003 Received: from mail.univ-reims.fr (mail.univ-reims.fr [193.50.208.6]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id hARFnPNL029862 for ; Thu, 27 Nov 2003 10:49:25 -0500 Received: from smtp.univ-reims.fr (smtp.univ-reims.fr [193.50.208.24]) by mail.univ-reims.fr (8.12.10/8.12.9) with ESMTP id hARFoLsE007776 for ; Thu, 27 Nov 2003 16:50:22 +0100 (MET) Received: from ([10.16.1.59]) by smtp.univ-reims.fr (MailMonitor for SMTP v1.2.2 ) ; Thu, 27 Nov 2003 16:49:21 +0100 (CET) Message-ID: <3FC61E07.3040505-.at.-univ-reims.fr> Date: Thu, 27 Nov 2003 16:53:43 +0100 From: eric.henon-.at.-univ-reims.fr User-Agent: Mozilla/5.0 (X11; U; Linux i686; fr-FR; rv:1.0.2) Gecko/20030208 Netscape/7.02 X-Accept-Language: fr-fr, fr MIME-Version: 1.0 To: chemistry-.at.-ccl.net Subject: new release of KISTHEP software Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.7 required=7.0 tests=NO_REAL_NAME,USER_AGENT_MOZILLA_UA,X_ACCEPT_LANG version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Dear Computational Chemistry List, A new release of the KISTHEP Package, version 1.0 is available from the web site at http://www.univ-reims.fr/Labos/GSMA/siteKisthep . KISTHEP is a free chemical software for the calculation of thermodynamical and kinetical properties > from quantum chemical data. The graphical interface has been improved. RRKM calculations ("Tight TS" case) are now available. KISTHEP is a java application, thus KISTHEP can be run under Windows or Linux or ... platform. Comments, questions and suggestions for future improvements should be sent to eric.henon-.at.-univ-reims.fr Best wishes, Eric Henon, Frederic Bohr