From chemistry-request.,at,.www.ccl.net Thu Mar 25 15:09:57 1999 Received: from sp2n17.missouri.edu (sp2n17-t.missouri.edu [128.206.2.27]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id PAA06405 Thu, 25 Mar 1999 15:09:57 -0500 (EST) Received: from sp2n3.missouri.edu (sp2n3.missouri.edu [128.206.2.93]) by sp2n17.missouri.edu (8.9.0/8.9.0) with ESMTP id OAA58110 for ; Thu, 25 Mar 1999 14:09:40 -0600 Received: from localhost (c697999:~at~:localhost) by sp2n3.missouri.edu (8.9.0/8.9.0) with SMTP id OAA86422 for ; Thu, 25 Mar 1999 14:09:38 -0600 X-Authentication-Warning: sp2n3.missouri.edu: c697999 owned process doing -bs Date: Thu, 25 Mar 1999 14:09:38 -0600 (CST) From: Raelene X-Sender: c697999 -x- at -x- sp2n3.missouri.edu To: chemistry \\at// www.ccl.net Subject: questions and mailing list Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi First I was wondering if I could be added to the news group mailing list. Second, I have a question: I am studying a large Rhodium complex using Ab initio MO and DFT. I have noticed that the virials are high - 2.5-3.5. Does anyone know if this is "normal" for such systems or, if it is not, why the V/T is so high? Thanks, Raelene Lawrence *********************************************************************** The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble. P.A.M. Dirac (1929) Aaaaaggghhhh... A.R. Lawrence (1999) *********************************************************************** A. R. Lawrence Plummer Group 125 Chemistry Bldg University of Missouri - Columbia E-mail: c697999 -8 at 8- showme.missouri.edu