From ccl@www.ccl.net Fri Oct 4 03:56:55 1996 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.7.5/950822.1) id DAA15024; Fri, 4 Oct 1996 03:20:54 -0400 (EDT) Received: from etamin.brunel.ac.uk for Jeffrey.Gosper@brunel.ac.uk by bedrock.ccl.net (8.7.6/950822.1) id DAA01780; Fri, 4 Oct 1996 03:20:52 -0400 (EDT) Received: from chem-pc-22 (actually chem-pc-22.brunel.ac.uk) by etamin.brunel.ac.uk with SMTP (PP); Fri, 4 Oct 1996 08:18:51 +0100 Date: Fri, 4 Oct 1996 08:18:49 BST From: Jeffrey J Gosper Reply-To: Jeffrey.Gosper@brunel.ac.uk Subject: Re: CCL:Harmonic Vibrational Frequencies To: Anthony P Scott cc: chemistry@ccl.net Message-ID: Priority: Normal MIME-Version: 1.0 Content-Type: TEXT/PLAIN; CHARSET=US-ASCII Dear Anthony, > We are pleased to announce that our paper on this subject has been > accepted and will be in print soon. The paper: > > Harmonic Vibrational Frequencies: An Evaluation of Hartree-Fock, > Moller-Plesset, Quadratic Configuration Interaction, Density Functional > Theory and Semiempirical Scale Factors > Anthony P. Scott and Leo Radom, > J. Phys. Chem., 100, 16502, (1996) > > presents scale factors for obtaining: > > 1. fundamental vibrational frequencies >... I am very interested in this work. Are the scaling factors you determine transferable as Pulay's found from his DFT work last year? Also any chance of a preprint being sent over? /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ Dr. Jeff Gosper Dept. of Chemistry BRUNEL University Uxbridge Middx UB8 3PH, UK voice: 01895 274000 x2187 facsim: 01895 256844 internet/email/work: Jeffrey.Gosper@brunel.ac.uk internet/WWW: http://http1.brunel.ac.uk:8080/~castjjg Re_View's Home page (A molecular display/animation/analysis program): http://http1.brunel.ac.uk:8080/depts/chem/ch241s/re_view/re_view.htm \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ From Eric.Short@brunel.ac.uk Fri Oct 4 09:57:01 1996 Received: from etamin.brunel.ac.uk for Eric.Short@brunel.ac.uk by www.ccl.net (8.7.5/950822.1) id IAA16354; Fri, 4 Oct 1996 08:59:08 -0400 (EDT) Received: from chem-pc-23 (actually chem-pc-23.brunel.ac.uk) by etamin.brunel.ac.uk with SMTP (PP); Fri, 4 Oct 1996 13:58:31 +0100 Date: Fri, 4 Oct 1996 13:58:25 BST From: Eric L Short Subject: UNSUBSCRIBE To: chemistry@www.ccl.net Message-ID: Priority: Normal MIME-Version: 1.0 Content-Type: TEXT/PLAIN; CHARSET=US-ASCII unsubscribe - retirement !! From ccl@www.ccl.net Fri Oct 4 17:57:02 1996 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.7.5/950822.1) id RAA18774; Fri, 4 Oct 1996 17:56:01 -0400 (EDT) Received: from Raven.und.ac.za for KRUGER@che.und.ac.za by bedrock.ccl.net (8.7.6/950822.1) id RAA16376; Fri, 4 Oct 1996 17:55:58 -0400 (EDT) Received: from che.und.ac.za (ChemFS1.ChE.und.ac.za [146.230.128.46]) by Raven.und.ac.za (8.7.5/8.7.3) with ESMTP id XAA03572 for ; Fri, 4 Oct 1996 23:55:54 +0200 (SAT) Received: from CHEMENG/SpoolDir by che.und.ac.za (Mercury 1.21); 4 Oct 96 23:55:56 +0200 Received: from SpoolDir by CHEMENG (Mercury 1.21); 4 Oct 96 23:55:47 +0200 From: "Mr HG Kruger" Organization: University of Natal - Durban To: chemistry@ccl.net Date: Fri, 4 Oct 1996 23:55:37 SAST Subject: subscribe X-Confirm-Reading-To: "Mr HG Kruger" X-pmrqc: 1 Priority: normal X-mailer: Pegasus Mail/Windows (v1.22) Message-ID: __________________________________________________________ Dr HG Kruger, Dept Chemistry, University of Natal, PO Box 18091, Dalbridge 4014, Durban, South Afica Tel +27-31-2602181 Fax +27-31-2603091 Email kruger@che.und.ac.za __________________________________________________________