From chemistry-request@server.ccl.net Wed Nov 6 08:36:04 2002 Received: from smtp2.ruc.dk ([130.225.220.70]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id gA6Da4C29478 for ; Wed, 6 Nov 2002 08:36:04 -0500 Received: by smtp2.ruc.dk (Postfix, from userid 504) id 424A75954A6; Wed, 6 Nov 2002 14:36:03 +0100 (CET) Received: from virgil.ruc.dk (virgil.ruc.dk [130.225.220.110]) by smtp2.ruc.dk (Postfix) with ESMTP id 19FC45954A2 for ; Wed, 6 Nov 2002 14:36:02 +0100 (CET) Received: from VIRGIL/SpoolDir by virgil.ruc.dk (Mercury 1.47); 6 Nov 02 14:36:02 +0100 Received: from SpoolDir by VIRGIL (Mercury 1.47); 6 Nov 02 14:35:57 +0100 From: "Jens Spanget-Larsen" Organization: Roskilde Universitetscenter To: chemistry@ccl.net Date: Wed, 6 Nov 2002 14:35:27 +0100 Subject: CCL:Getting electronic spectrum info from Gaussian Reply-To: spanget@ruc.dk X-Confirm-Reading-To: spanget@ruc.dk X-pmrqc: 1 Priority: normal X-mailer: Pegasus Mail for Windows (v2.23) Message-ID: <437117A518B@virgil.ruc.dk> CCL: I wish to draw your attention to a recent publication by Professor Fabian and coworkers: J. Fabian, L. A. Diaz, G. Seifert, T. Niehaus: "Calculation of excitation energies of organic chromophores: a critical evaluation", J. Mol. Struct. (Theochem) 594, 41-53 (2002). Jens >--< NB! Please note new mail address: =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= JENS SPANGET-LARSEN Office: +45 4674 2710 Department of Chemistry Fax: +45 4674 3011 Roskilde University (RUC) Mobile: +45 2320 6246 P.O.Box 260 E-Mail: spanget@ruc.dk DK-4000 Roskilde, Denmark http://virgil.ruc.dk/~spanget =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= From chemistry-request@server.ccl.net Wed Nov 6 15:09:45 2002 Received: from cornell.edu ([132.236.56.6]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id gA6K9jC11366 for ; Wed, 6 Nov 2002 15:09:45 -0500 Received: from cornell.edu (lock.lassp.cornell.edu [128.84.241.198]) by cornell.edu (8.9.3/8.9.3) with ESMTP id PAA10532 for ; Wed, 6 Nov 2002 15:09:45 -0500 (EST) Sender: cc236@cornell.edu Message-ID: <3DC97708.88C5A4A0@cornell.edu> Date: Wed, 06 Nov 2002 15:09:44 -0500 From: Connie Chang X-Mailer: Mozilla 4.77 [en] (X11; U; Linux 2.2.19-6.2.16smp i686) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: visualizing HOMO/LUMO with Gaussian98W Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi all -- Is there a way to plot the shape of the HOMO and LUMO level using Gaussian98W? thanks, connie