From chemistry-request@www.ccl.net Wed Sep 23 19:12:43 1998 Received: from ns-mx.uiowa.edu (ns-mx.uiowa.edu [128.255.1.4]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id TAA10664 Wed, 23 Sep 1998 19:12:42 -0400 (EDT) Received: from [128.255.138.237] (his.chem.uiowa.edu [128.255.138.237]) by ns-mx.uiowa.edu (8.8.8/8.8.5) with ESMTP id SAA54798 for ; Wed, 23 Sep 1998 18:12:45 -0500 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Wed, 23 Sep 1998 18:15:39 -0500 To: chemistry@www.ccl.net From: "Jan H. Jensen" Subject: EPR g-factors Hello, I am interested in calculating anisotropic EPR g-factors using ab initio electronic structure theory. I would like to know what programs can calculate this property, and what kind of accuracy one can expect. Best regards, Jan Jensen =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- Jan H. Jensen Assistant Professor Department of Chemistry jan-jensen@uiowa.edu University of Iowa Phone:(319) 335-1108 Iowa City, IA 52242 FAX: (319) 335-1270 http://www.uiowa.edu/~chemdept/faculty/jensen/ =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-