From nan@tk1-c724.uibk.ac.at Sun Oct 6 12:13:53 1996 Received: from tk1-c724.uibk.ac.at for nan@tk1-c724.uibk.ac.at by www.ccl.net (8.7.5/950822.1) id LAA02150; Sun, 6 Oct 1996 11:32:15 -0400 (EDT) Received: from tk1-c724 (localhost [127.0.0.1]) by tk1-c724.uibk.ac.at (8.6.11/8.6.9) with SMTP id QAA24628; Sun, 6 Oct 1996 16:32:03 +0100 Sender: nan@tk1-c724.uibk.ac.at Message-ID: <3257D0F0.26F1668C@tk1-c724.uibk.ac.at> Date: Sun, 06 Oct 1996 16:32:00 +0100 From: Anan Tongra-ar X-Mailer: Mozilla 2.01 (X11; I; Linux 1.2.3 i486) MIME-Version: 1.0 To: chemistry@www.ccl.net CC: nan@tk1-c724.uibk.ac.at Subject: need help! X-URL: http://www.ccl.net/ccl/welcome.html Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear all subscribers, I got a basis set program from Ohio Supercomputer Center and I would like to get the references of thier basis set. It's in a book of "Handbook of Gaussian Basis Sets" by R. Poirier, R. Kari and I.G. Csizmadia Elsevier Science, New York, 1985. Could anyone suggest me how can I get it? Thank you very much in advance Nan (Thai student in Austria) (e-mail : nan@tk1-c724.uibk.ac.at) From shubin@email.unc.edu Sun Oct 6 17:13:52 1996 Received: from login3.isis.unc.edu for shubin@email.unc.edu by www.ccl.net (8.7.5/950822.1) id QAA03078; Sun, 6 Oct 1996 16:18:59 -0400 (EDT) Received: by email.unc.edu id <4301-103962>; Sun, 6 Oct 1996 16:18:44 -0400 Date: Sun, 6 Oct 1996 16:18:32 -0400 (EDT) Sender: Shubin Liu From: Shubin Liu X-Sender: shubin@login3.isis.unc.edu To: chemistry@www.ccl.net cc: Computational Chemistry List Subject: How to extract Ex and J values in G94 HF calculation? In-Reply-To: <3256CF7D.446B@cc.ic.ac.uk> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, All: Does anyone know how to obtain the exchange energy Ex and the classical Coulomb repulsion energy J in a G94 Hartree-Fock calculation? If you do, would you please drop me a line? Thank you very much! Shubin ............................................................................. Shubin Liu Department of Chemistry Email: shubin@email.unc.edu Kenan Hall A207, CB# 3290 sliu@mulliken.chem.unc.edu University of North Carolina Home Page: http://www.unc.edu/~shubin Chapel Hill, NC 27599-3290 Tel : (919) 962-0150 (Office) USA Fax : (919) 962-2388 ............................................................................. From ccl@www.ccl.net Sun Oct 6 21:13:54 1996 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.7.5/950822.1) id UAA03490; Sun, 6 Oct 1996 20:56:30 -0400 (EDT) Received: from auric.chem.csiro.au for D.Winkler@chem.csiro.au by bedrock.ccl.net (8.7.6/950822.1) id UAA08988; Sun, 6 Oct 1996 20:56:23 -0400 (EDT) From: Received: from [138.194.40.204] (mac-40204.chem.csiro.au) by auric.chem.csiro.au with SMTP id AA29466 (5.67b/IDA-1.5 for chemistry@ccl.net); Mon, 7 Oct 1996 10:53:00 +1000 Date: Mon, 7 Oct 1996 10:53:00 +1000 X-Sender: win097@auric.chem.csiro.au Message-Id: In-Reply-To: <199610022117.RAA29421@helix.nih.gov> Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Apparently-To: Apparently-To: Australian Science - Australia's Future Date: Mon, 7 Oct 1996 10:55:46 +1000 To: Shaomeng Wang From: "Dr. Dave Winkler" Subject: Re: CCL:Synthetic Chemistry List? Cc: chemistry@ccl.net >Dear CCL friends, > >Does any know if there if a Synthetic Chemistry/Medicinal Chemistry List >similar to the Computational Chemistry List? > Yes, there is one of each: ANCHODD (med chem) majordomo@postoffice.utas.edu.au ORG-CHEM (org chem!) orgchem@extreme.chem.rpi.edu http://extreme.chem.rpi.edu/ Cheers, Dave Dr. David A. Winkler Voice: 61-3-9542-2477 Principal Research Scientist Fax: 61-3-9543-8160 CSIRO Division of Chemicals and Polymers http://www.csiro.au Private Bag 10,Clayton South MDC, http://www.wark.csiro.au Clayton 3169, Australia