From chemistry-request -x- at -x- server.ccl.net Mon Apr 7 11:49:37 2003 Received: from vax2.concordia.ca ([132.205.1.100]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h37Fnbu14721 for ; Mon, 7 Apr 2003 11:49:37 -0400 Received: from vax2.concordia.ca by vax2.concordia.ca (PMDF V6.2 #30559) id <01KUG11JM00W00312K # - at - # vax2.concordia.ca> for chemistry # - at - # ccl.net; Mon, 07 Apr 2003 11:49:37 -0400 (EDT) Date: Mon, 07 Apr 2003 11:49:37 -0400 (EDT) From: srhughes(+ at +)vax2.concordia.ca Subject: Crystal field programs To: CCL Message-id: MIME-version: 1.0 Content-type: TEXT/PLAIN; charset=US-ASCII Hello all, Is anyone aware of any programs capable of predicting the electronic spectra of lanthanide ions? Specifically, I am interested in inputing the coordinates of the interacting ligands, in addition to crystal field parameters. Other suggestions are welcome and I will summarize if there are any requests to do so. Thank you in advance, Sean Hughes Centre for Research in Molecular Modeling (CERMM) Dept. Chemistry and Biochemistry Concordia University 1455 de Maisonneuve Blvd. West Montreal, Quebec Canada H3G 1M8 Tel: (514)-848-4260 Fax: (514)-848-2868