From feaster(+ at +)tessa.iaf.uiowa.edu Tue Feb 28 15:22:43 1995 Received: from ns-mx.uiowa.edu for feaster-!at!-tessa.iaf.uiowa.edu by www.ccl.net (8.6.9/930601.1506) id OAA03284; Tue, 28 Feb 1995 14:05:16 -0500 Received: from tessa.iaf.uiowa.edu by ns-mx.uiowa.edu (8.6.8.2/19950217.1) on Tue, 28 Feb 1995 13:05:14 -0600 id NAA13295 with SMTP Received: by tessa.iaf.uiowa.edu (920330.SGI/891024) on Tue, 28 Feb 95 12:57:06 -0600 id AA03795 Date: Tue, 28 Feb 1995 12:50:12 -0600 (CST) From: shawn feaster Subject: Fe(0) complex modeling To: chemistry- at -ccl.net Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear all computational chemists, Does anyone know of a method for modeling transition metal complexes. For example, Fe(0) and carbon tetrachloride? I believe at this moment that most canned programs do not have this capability. I think that "Cerius" may be able to do some very rough modeling, but the modeling assumes very approximate geometries. Is this true? If there is a solution to my problem I would very much like to hear from you. My email address is feaster(+ at +)tessa.iaf.uiowa.edu. Thanks, Shawn Feaster