From chemistry-request@server.ccl.net Fri Jul 14 12:47:45 2000 Received: from aquarius.ime.eb.br (aquarius.ime.eb.br [200.20.120.44]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA00457 for ; Fri, 14 Jul 2000 12:47:42 -0400 Received: from epq.ime.eb.br (epq.ime.eb.br [200.20.120.217]) by aquarius.ime.eb.br (8.9.1a/8.9.1) with ESMTP id NAA24967 for ; Fri, 14 Jul 2000 13:54:36 -0300 Received: from EPQ/SpoolDir by epq.ime.eb.br (Mercury 1.47); 14 Jul 00 13:47:22 -0200 Received: from SpoolDir by EPQ (Mercury 1.47); 14 Jul 00 13:47:15 -0200 From: "Teodorico de Castro Ramalho" Organization: IME To: chemistry@ccl.net Date: Fri, 14 Jul 2000 13:47:08 -2:00 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: Calcule of the thermodynamics properties of complexs Priority: normal Message-ID: <1E284F2985@epq.ime.eb.br> Hi, I am carrying through calculation of thermodynamic properties of complexes of zinc and cadmium, using the PC Spartan Pro that calculates these properties from the vibracionais frequencias of the complexes. It would like to know, if possible, which are the computational methods of calculation for the thermodynamic properties and in the coordination composite case which would be most trustworthy. It would like if possible references. Thanks Teodorico C. Ramalho Military Insitute of engineering Group of Spectroscopy