From ccl@www.ccl.net Wed Apr 2 13:33:29 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id MAA20844; Wed, 2 Apr 1997 12:39:53 -0500 (EST) Received: from cliff.acs.oakland.edu for bbesler@ouchem.chem.oakland.edu by bedrock.ccl.net (8.8.3/950822.1) id MAA13179; Wed, 2 Apr 1997 12:39:51 -0500 (EST) Received: from ouchem.chem.oakland.edu (ouchem.chem.oakland.edu [141.210.108.5]) by cliff.acs.oakland.edu (8.8.5/8.7.3) with SMTP id MAA32493 for ; Wed, 2 Apr 1997 12:41:29 -0500 (EST) Received: by ouchem.chem.oakland.edu; id AA32167; Wed, 2 Apr 1997 11:56:00 -0500 From: "Brent H. Besler" Message-Id: <9704021656.AA32167@ouchem.chem.oakland.edu> Subject: G94 on non-DEC 500 Mhz Alpha's under Linux To: chemistry@ccl.net Date: Wed, 2 Apr 1997 11:56:00 -0500 (EST) X-Mailer: ELM [version 2.4 PL21] Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit I was wondering if anyone has Gaussian 94 running under Linux on a non-DEC 500 Mhz Alpha such as the one sold by Polywell Inc. From ccl@www.ccl.net Wed Apr 2 14:33:29 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id OAA21387; Wed, 2 Apr 1997 14:13:03 -0500 (EST) Received: from admiral.umsl.edu for wwelsh@jinx.umsl.edu by bedrock.ccl.net (8.8.3/950822.1) id OAA15771; Wed, 2 Apr 1997 14:13:00 -0500 (EST) Received: from chewwels.umsl.edu ([134.124.77.29]) by admiral.umsl.edu (8.8.5/8.7.2) with SMTP id NAA28558 for ; Wed, 2 Apr 1997 13:12:56 -0600 (CST) Date: Wed, 2 Apr 1997 13:12:56 -0600 (CST) Message-Id: <199704021912.NAA28558@admiral.umsl.edu> X-Sender: wwelsh@jinx.umsl.edu X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@ccl.net From: William Welsh Subject: calculating band structures in 3D Dear Netters, Can someone point me to programs available for calculating electronic band structures in 1-, 2-, and 3- dimensions? I remember a few years back that a program known as VEH (Valence Effective Hamiltonian) was capable of doing this, but there may be others (or updated versions of VEH). I would be interested in both semi-empirical and ab initio programs. Thanks ... Prof. Bill Welsh Dept. of Chemistry University of Missouri-St. Louis From ccl@www.ccl.net Wed Apr 2 15:33:31 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id PAA21767; Wed, 2 Apr 1997 15:21:56 -0500 (EST) Received: from schiele for MAILER-DAEMON@ccl.net by bedrock.ccl.net (8.8.3/950822.1) id PAA17216; Wed, 2 Apr 1997 15:21:54 -0500 (EST) Received: by schiele (950911.SGI.8.6.12.PATCH825/940406.SGI.AUTO) for chemistry@ccl.net id WAA22065; Wed, 2 Apr 1997 22:21:13 +0200 From: "Wolf-Dietrich Ihlenfeldt" Message-Id: <9704022221.ZM22063@eros.ccc.uni-erlangen.de> Date: Wed, 2 Apr 1997 22:21:09 -0600 Reply-To: wdi@eros.ccc.uni-erlangen.de X-Phones: +49-9131-85-6579 X-Fax: +49-9131-85-6566 X-Mailer: Z-Mail (3.2.2 10apr95 MediaMail) To: chemistry@ccl.net Subject: Conference Proceedings Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 8bit The German Chemical Society (GDCh) clears stock and offers the proceedings of its annual workshop 'Software Development in Chemistry' for the years 1993 - 1995 at a special discount rate, less than half of the original price. The books were produced by the GDCh, no commercial publishing house is involved. The workshop is a regular event organized by the 'CIC - Chemistry, Information, Computer' expert group within the GDCh. In 1997, it will be held near Zurich, Switzerland, Nov. 16-18. Most of the articles (>90% in 1995) contained in the proceedings are written in English. For a quick look at the contents, you can read the 1995 digital version at http://schiele.organik.uni-erlangen.de/tagung/10_cic/ There are no electronic versions for 1993 and 1994. For more information, please point your Web browser at http://schiele.organik.uni-erlangen.de/cic/proceedings.html -- Dr. Wolf-D. Ihlenfeldt Computer Chemistry Center, University of Erlangen-Nuernberg Naegelsbachstrasse 25, D-91052 Erlangen (Germany) Tel (+49)-(0)9131-85-6579 Fax (+49)-(0)9131-85-6566 --- The three proven methods for ultimate success and fame: 1) Nakanu nara koroshite shimae hototogisu 2) Nakanu nara nakasete miseyou hototogisu 3) Nakanu nara naku made matou hototogisu From eslone@patriot.net Wed Apr 2 22:33:34 1997 Received: from jefferson.patriot.net for eslone@patriot.net by www.ccl.net (8.8.3/950822.1) id VAA24150; Wed, 2 Apr 1997 21:46:10 -0500 (EST) Received: from eric (th-1-5.patriot.net [206.151.9.86]) by jefferson.patriot.net (8.7.4/8.7.3) with SMTP id VAA12453 for ; Wed, 2 Apr 1997 21:44:36 -0500 Message-ID: <33431A29.9AA@patriot.net> Date: Wed, 02 Apr 1997 21:47:05 -0500 From: "J. Eric Slone" Reply-To: eslone@patriot.net Organization: Scientific Consulting Services X-Mailer: Mozilla 3.0Gold (Win95; U) MIME-Version: 1.0 To: Computational Chemistry List Subject: MM2 QUESTION FROM KODAK Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi: Sorry to use the bandwidth like this, but would the guy who called me about MM2 and WinSmile please give me a call back or drop me an email. I have answers to your questions, but can't find your email address. Thanks, and sorry for everyone else who has to read this! ___________________________________________________________________ J. Eric Slone Scientific Consulting Services 5500 Holmes Run Parkway, Suite 501 Alexandria, Virginia 22304-2851 Phone: (703) 461-7078 mailto:eslone@patriot.net Fax: (703) 751-6639 http://www.patriot.net/users/eslone ___________________________________________________________________