From chemistry-request@server.ccl.net Thu Jun 10 06:09:34 1999 Received: from iris.inc.bme.hu (iris.inc.bme.hu [152.66.63.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id GAA00742 for ; Thu, 10 Jun 1999 06:09:29 -0400 Received: from localhost (dino@localhost) by iris.inc.bme.hu (8.9.1/8.9.1) with ESMTP id LAA22500 for ; Thu, 10 Jun 1999 11:03:17 +0100 (BUD) Date: Thu, 10 Jun 1999 11:03:17 +0100 From: Szieberth Denes To: chemistry@ccl.net Subject: cbs-qb3 In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi all, Could someone give me some references for the CBS-QB3 method? Denes Szieberth dino@iris.inc.bme.hu From chemistry-request@server.ccl.net Thu Jun 10 08:38:13 1999 Received: from classic.chem.msu.su (classic.chem.msu.su [158.250.32.143]) by server.ccl.net (8.8.7/8.8.7) with SMTP id IAA02944 for ; Thu, 10 Jun 1999 08:38:05 -0400 From: gran@classic.chem.msu.su Received: from localhost ( [127.0.0.1] ) by classic.chem.msu.su (Hethmon Brothers Smtpd) ; Thu, 10 Jun 1999 16:30:47 MSK-3MSD-4,3,5,0,7200,10,5,0,10800 Message-Id: <199905101630.4728206.7@classic.chem.msu.su> Date: Thu, 10 Jun 1999 16:29:42 +0400 To: CHEMISTRY@ccl.net Cc: gamess-users@Glue.umd.edu, qcnt@onelist.com Subject: Parallel PC GAMESS - announce of the beta test program X-Mailer: MR/2 Internet Cruiser Edition for OS/2 v1.60 b60 (Unregistered) Dear PC GAMESS users, We are about to start the public beta test program for the first parallel version of the PC GAMESS for Win32-based (WinNT, Win95, Win98) SMP systems, clusters, and local networks. If you are interested in the participation in our beta test program, please register by sending us an e-mail describing the hardware you plan to use for testing. Within several days, all the registered participants should receive an e-mail with a complete information concerning beta test program. Yours sincerely, Alex. A. Granovsky, Laboratory of Chemical Cybernetics, Moscow State University, Moscow, Russia From chemistry-request@server.ccl.net Thu Jun 10 09:14:04 1999 Received: from osi.lanet.lv (sgi.osi.lanet.lv [195.13.135.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id JAA03697 for ; Thu, 10 Jun 1999 09:12:58 -0400 Received: from osi30.osi.lanet.lv (osi30.osi.lanet.lv [195.13.135.30]) by osi.lanet.lv (980427.SGI.8.8.8/8.8.8) with SMTP id QAA20714 for ; Thu, 10 Jun 1999 16:02:45 +0300 (DST) Message-Id: <1.5.4.32.19990610130234.00676cb0@sgi.osi.lanet.lv> X-Sender: misha@sgi.osi.lanet.lv X-Mailer: Windows Eudora Light Version 1.5.4 (32) Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Thu, 10 Jun 1999 16:02:34 +0300 To: chemistry@ccl.net From: Mendel Fleisher Subject: tautomerism Dear CCL I'm looking information about theoretical calculations of ring-chain tautomerism. Thank you. From chemistry-request@server.ccl.net Thu Jun 10 16:26:41 1999 Received: from dedalus.lcc.ufmg.br (dedalus.lcc.ufmg.br [150.164.65.10]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id QAA07989 for ; Thu, 10 Jun 1999 16:26:36 -0400 Received: from localhost (amolive@localhost) by dedalus.lcc.ufmg.br (8.9.3/8.9.3) with SMTP id RAA09039 for ; Thu, 10 Jun 1999 17:17:58 -0300 Date: Thu, 10 Jun 1999 17:17:58 -0300 (BSC) From: andre mauricio de oliveira To: Lista de discussao Quim Comp Subject: CoMFA Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi all, Can anyone point me any PC program to perform CoMFA analysis (preferebly free)? Thanx. Andre Mauricio de Oliveira VOICE +55-031-374-1325 +55-031-499-5765 FAX +55-031-499-5700 Laboratorio de QSAR e Modelagem Molecular Nucleo de Estudos em Quimica Medicinal (NEQUIM) NEQUIM's Homepage: http://www.qui.ufmg.br/~nequim Departamento de Quimica ICEx Federal University of Minas Gerais Av Antonio Carlos 6627 Pampulha ZIP CODE 31270-901 Belo Horizonte MG Brazil