From dusinger@pop.erols.com Fri Dec 26 14:11:00 1997 Received: from smtp2.erols.com for dusinger@pop.erols.com by www.ccl.net (8.8.3/950822.1) id NAA07649; Fri, 26 Dec 1997 13:13:28 -0500 (EST) Received: from dirk (spg-tnt7s51.erols.com [207.172.37.51]) by smtp2.erols.com (8.8.8/8.8.5) with SMTP id NAA07206 for ; Fri, 26 Dec 1997 13:13:01 -0500 (EST) Message-Id: <199712261813.NAA07206@smtp2.erols.com> Comments: Authenticated sender is From: "Dirk Singer" To: CHEMISTRY@www.ccl.net Date: Fri, 26 Dec 1997 13:11:42 -6 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: Intermolecular interactions of large molecules at ab-initio leve Reply-to: dusinger@erols.com Return-receipt-to: dusinger@erols.com Priority: normal X-mailer: Pegasus Mail for Win32 (v2.53/R1) Dear CCLers, I am looking for references describing ab-initio calculations (Hartree-Fock, Post-Hartree-Fock and DFT) of intermolecular interactions of medium-sized to large molecules, e.g., molecules exceeding 6 atoms like in benzene. I am aware of the work of Jiri Sponer, Jerzy Leszczynski and Pavel Hobza concerning such calculations for the base-base stacking in DNA. I would appreciate any references to work concerning the ab-initio treatment of systems of similarily sized systems or even larger ones. I will summarize. Thanks in advance and a happy new year Dirk Singer Dr. Dirk Singer Phone: (202) 806 9538 Howard University Fax: (202) 806 5442 Dep. of Chemistry E-Mail: dusinger@erols.com 525 College St., NW Washington, DC 20059