From chemistry-request@server.ccl.net Mon Apr 24 12:59:46 2000 Received: from ccshst04.cs.uoguelph.ca (ccshst04.cs.uoguelph.ca [131.104.96.17]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA00207 for ; Mon, 24 Apr 2000 12:59:46 -0400 Received: from ccshst01 (ccshst01.cs.uoguelph.ca [131.104.96.81]) by ccshst04.cs.uoguelph.ca (8.9.3/8.9.3) with SMTP id MAA07339 for ; Mon, 24 Apr 2000 12:59:14 -0400 (EDT) Date: Mon, 24 Apr 2000 12:59:14 -0400 (EDT) From: "Prof. John D Goddard" X-Sender: jgoddard@ccshst01 To: chemistry@ccl.net Subject: Re: Symposium 125 Computational Quantum Chemistry at Pacifichem In-Reply-To: <09433A5B7967D3119BE30090278D1123086D4D@SRVNT01> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII The ACS has extended the deadline for abstract submission for the Pacifichem 2000 meeting in Honolulu in December. Abstracts need to be submitted by April 28 through the ACS webpage http://www.acs.org/meetings/pacific2000 Contributions can still be considered for the poster session associated with Symposium 125 Computational Quantum Chemistry Theoretical and Experimental Perspectives. Details on this symposium are available at http://www.se.rikkyo.ac.jp/~osamura/pacifichem125/ John Goddard Co-Organizer Symposium 125. From chemistry-request@server.ccl.net Mon Apr 24 14:55:32 2000 Received: from mail.science.siu.edu (mail.science.siu.edu [131.230.107.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA00725 for ; Mon, 24 Apr 2000 14:55:32 -0400 Received: from tapas (131.230.99.83) by mail.science.siu.edu with SMTP (Eudora Internet Mail Server 2.2.2); Mon, 24 Apr 2000 13:55:34 -0500 Message-ID: <015d01bfae1e$02fc3c00$5363e683@thchem.siu.edu> From: "Tapas Kar" To: "CCL" Subject: MOLPRO or ACES II or ?? Date: Mon, 24 Apr 2000 13:50:50 -0500 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2314.1300 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2314.1300 MOLPRO vs ACES II Like to know the performance (general as well as critical) of the two. We are mostly interested on CCSD-T geometry optimization and freq calculations. ---------------------------------------------------- Tapas Kar Department of Chemistry 1245 Lincoln Dr. # 146F Southern Illinois University Carbondale, IL 62901-4409 Tel: 618-453-6485(Off)/6433(Lab) Fax: 618-453-6408 email: tapaskar@siu.edu tapas@risky3.thchem.siu.edu From chemistry-request@server.ccl.net Mon Apr 24 18:34:44 2000 Received: from anchor-post-31.mail.demon.net (anchor-post-31.mail.demon.net [194.217.242.89]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id SAA01688 for ; Mon, 24 Apr 2000 18:34:43 -0400 Received: from iainm.demon.co.uk ([158.152.30.61]) by anchor-post-31.mail.demon.net with smtp (Exim 2.12 #1) id 12jrR6-000O06-0V for chemistry@ccl.net; Mon, 24 Apr 2000 23:34:37 +0100 Message-ID: Date: Mon, 24 Apr 2000 23:33:20 +0100 To: chemistry@ccl.net From: Iain M McLay Subject: UK-QSAR meeting GlaxoWellcome May 3rd. Last chance to register MIME-Version: 1.0 X-Mailer: Turnpike Integrated Version 4.02 U The UK-QSAR and ChemoInformatics Discussion Group are holding their spring meeting on May 3rd at GlaxoWellcome, Ware, UK. This is the final chance to register: the closing date for e-mail registration is Wednesday 26th, April. Full details can be found on the web at http://www.iainm.demon.co.uk/2000spr.htm Speakers: John Bradshaw (Daylight Inc.), David Leahy (Cyprotex), Richard Lloyd (GW), Marcel de Groot (Pfizer), Kim Watson (Oxford University), Andy Davis (AstraZeneca), Matthew Trotter (University College, London), Tim Ebbels (Imperial College, London). Topics covered range from prediction of metabolism and pharmacokinetics to advanced data handling and analysis. To register please e-mail to Anne Hersey: ah45952@GlaxoWellcome.co.uk Please state your affiliation, if arriving by car, any specific dietary requirements and if intend to present a poster. Details of parking/security arrangements and local hotels are available >from the web site http://www.iainm.demon.co.uk/2000spr.htm Iain McLay GlaxoWellcome, Stevenage, UK. iml67644@GlaxoWellcome.co.uk