From chemistry-request _-at-_)server.ccl.net Mon Jun 17 19:04:25 2002 Received: from webshield01.net.kent.edu ([131.123.75.125]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5HN4PH03714 for ; Mon, 17 Jun 2002 19:04:25 -0400 Received: from localhost (unknown [127.0.0.1]) by webshield01.net.kent.edu (Postfix on SuSE Linux) with ESMTP id BD7DE22B177 for ; Mon, 17 Jun 2002 21:59:15 +0000 (UTC) Received: from sergio (sergio.chem.kent.edu [131.123.232.24]) by webshield01.net.kent.edu (Postfix on SuSE Linux) with ESMTP id D2BC522B16B for ; Mon, 17 Jun 2002 17:59:14 -0400 (EDT) Message-ID: <004201c21653$4ac02c00$18e87b83%!at!%ligquim.ffclrp.usp.br> Reply-To: "Sergio Emanuel Galembeck" From: "Sergio Emanuel Galembeck" To: Subject: G98: vizualize orbitals in TD-DFT Date: Mon, 17 Jun 2002 19:04:10 -0400 Organization: =?Windows-1252?Q?Universidade_de_S=E3o_Paulo?= MIME-Version: 1.0 Content-Type: text/plain; charset="Windows-1252" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2600.0000 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 X-Virus-Scanned: by AMaViS perl-11 Dear Netters, I am interested in a graphical program to analyse molecular orbitals calculated by TD-DFT and printed using iop(5/33=2). I tried Molden and Molekel without result. Best regards, Sergio ============================================================== Sergio Emanuel Galembeck Assistant Professor in Physical Chemistry Laboratorio de Modelagem Molecular Departamento de Quimica Faculdade de Filosofia, Ciencias e Letras de Ribeirao Preto Universidade de Sao Paulo Av Bandeirantes, 3900 Ribeirao Preto, SP Brasil phone: +55-16-602-37-65 fax: +55-16-633-81-51 e-mail: segalemb(+ at +)usp.br ==============================================================