From chemistry-request@server.ccl.net Fri Sep 7 09:31:54 2001 Received: from tucc-exchange.trinity.edu ([131.194.151.15]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f87DVsM28603 for ; Fri, 7 Sep 2001 09:31:54 -0400 Received: by tucc15.tucc.trinity.edu with Internet Mail Service (5.5.2653.19) id ; Fri, 7 Sep 2001 08:31:49 -0500 Message-ID: From: "Mills, Nancy S." To: chemistry@ccl.net Subject: proper syntax for ZINDO Date: Fri, 7 Sep 2001 08:31:48 -0500 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2653.19) Content-Type: text/plain; charset="iso-8859-1" I am running ZINDO in Gaussian 98 and would like to change the default values for both the number of states and the starting and ending orbitals used. I need to know the proper syntax. As an example, "zindo=(Nstates=8, window=(12,12))" gives an error message, as do a number of variations on this theme. If anyone has actually run Zindo on Gaussian 98 and incorporated both these types of changes, I would appreciate guidance for the syntax. I will summarize to the net if there is interest. Thanks. Nancy Mills, PhD Phone, (210) 999-7317 Professor Fax, (210) 999-7569 Department of Chemistry nmills@trinity.edu Trinity University 715 Stadium Dr. San Antonio, TX 78212-7200 From chemistry-request@server.ccl.net Fri Sep 7 15:23:24 2001 Received: from smtp.bikini.pt ([195.23.132.232]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f87JNNM04540 for ; Fri, 7 Sep 2001 15:23:24 -0400 Received: (qmail 14309 invoked by uid 999); 7 Sep 2001 19:23:17 -0000 Message-ID: <20010907192317.14308.qmail@smtp.bikini.pt> X-Originating-IP: [195.23.182.137] X-Mailer: BikiniMail From: "Swim Suit" To: chemistry@ccl.net Subject: number of electrons on compound's ligands Date: Fri, 07 Sep 2001 19:23:17 GMT Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit Dear CCL users, can you please inform me where can I find a free program with which calculate the number of electrons belonging to each ligand and metal in a given compound? Many thanks! Swim swimsuit@bikini.pt