From chemistry-request@server.ccl.net Mon Jun 14 03:57:59 1999 Received: from judy.ic.ac.uk (judy.ic.ac.uk [155.198.5.28]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id DAA08583 for ; Mon, 14 Jun 1999 03:57:58 -0400 Received: from juliet.ic.ac.uk ([155.198.5.4]) by judy.ic.ac.uk with esmtp (Exim 2.12 #1) id 10tRVp-0006iR-00; Mon, 14 Jun 1999 07:50:33 +0000 Received: from sg1.cc.ic.ac.uk ([155.198.63.8] helo=cscmgb.cc.ic.ac.uk) by juliet.ic.ac.uk with esmtp (Exim 2.12 #1) id 10tRVf-0006LW-00; Mon, 14 Jun 1999 07:50:23 +0000 Received: from [155.198.224.86] by cscmgb.cc.ic.ac.uk (980427.SGI.8.8.8/4.0) id IAA13731; Mon, 14 Jun 1999 08:50:13 +0100 (bst) Mime-Version: 1.0 X-Sender: rzepa@155.198.63.8 (Unverified) Message-Id: Date: Mon, 14 Jun 1999 08:50:03 +0100 To: chemistry@ccl.net From: "Rzepa, Henry" Subject: WATOC99 Registrations: Last call Content-Type: text/plain; charset="us-ascii" This is a final reminder that the closing data for registrations for WATOC 99 is 21 June. The registrations form can be obtained via http://www.chemsoc.org/pdf/watocappform.pdf or http://www.chemsoc.org/pdf/watoc99.pdf and should be completed and returned to the Royal Society of Chemistry. We have a near record number of registrations already, and are approaching the absolute limit for the conference. So don't miss the boat by leaving it until the last minute! Full information about the scientific program can be obtained from http://www.chemsoc.org/watoc99/ Local details of the venue at Imperial College are at http://www.ch.ic.ac.uk/watoc/ Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ From chemistry-request@server.ccl.net Mon Jun 14 08:30:33 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 IAA11765 for ; Mon, 14 Jun 1999 08:30:31 -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 PAA09836 for ; Mon, 14 Jun 1999 15:24:05 +0300 (DST) Message-Id: <1.5.4.32.19990614122356.0067f524@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: Mon, 14 Jun 1999 15:23:56 +0300 To: chemistry@ccl.net From: Mendel Fleisher Subject: Phase transfer catalysis Dear CCL I'm looking for works or reviews on quantum-chemical calculations for reactions under phase transfer catalysis conditions. Thank you From chemistry-request@server.ccl.net Mon Jun 14 10:02:40 1999 Received: from terra.ifi.unicamp.br (terra.ifi.unicamp.br [143.106.6.20]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id KAA12605 for ; Mon, 14 Jun 1999 10:01:55 -0400 Received: from lua.ifi.unicamp.br (lua [143.106.6.13]) by terra.ifi.unicamp.br (8.9.3/8.9.3) with ESMTP id KAA13829 for ; Mon, 14 Jun 1999 10:52:14 -0300 (BSC) Received: (from daemon@localhost) by lua.ifi.unicamp.br (8.9.3/8.9.3) id KAA14246 for ; Mon, 14 Jun 1999 10:52:15 -0300 (BSC) Received: from gauss(143.106.72.139), claiming to be "ifi.unicamp.br" via SMTP by lua.ifi.unicamp.br, id smtpdaanCAa; Mon Jun 14 10:52:09 1999 Message-ID: <37650A24.56E0A83F@ifi.unicamp.br> Date: Mon, 14 Jun 1999 10:56:52 -0300 From: =?iso-8859-1?Q?M=E1rcio?= Cyrillo Organization: unicamp X-Mailer: Mozilla 4.6 [en] (Win98; I) X-Accept-Language: en MIME-Version: 1.0 To: Computational Chemistry List Subject: About Chem2Pac... Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCLers, I would like to acknowledge everyone that has been trying to download and installChem2Pac on their computers. Just a few considerations about it: 1. I know my server is slow, could anyone please tell me how can I put the distribution files on CCL archive? Other repositories are welcome as well; 2. Chem2Pac will replace only OLD MICROSOFT system files. It is SAFE, very safe indeed and also recommended to replace them, as long as you trust Microsoft; 3. Some Win95 systems will have problems registering some DLLs and ActiveX needed for C2P to run. In this case, just e-mail me and I will be glad to solve your problem. 4. I received some suggestions and I will think about them when I have time to do so, thanks. The most urgent for the time being is that C2P expects that MOPAC output files have .arc (for012) and .mno (for006) extensions. I was told that some MOPAC.EXE for windows have .out extension instead of .arc, so C2P will not find them at the end of a calculation if you replace C2P mopac by your own executable. I will put an option on the program for the user to choose the file extensions and so they will be able use any MOPAC.EXE they want. 5. The user can check for new versions of C2P inside it, just proceed to the menu view->options and then click on the setup tab. Thanks, Marcio Cyrillo.