From chemistry-request@ccl.net Tue May 31 10:25:23 2005 Received: from web26807.mail.ukl.yahoo.com (web26807.mail.ukl.yahoo.com [217.146.176.83]) by server.ccl.net (8.13.1/8.13.1) with SMTP id j4VEPH9A024238 for ; Tue, 31 May 2005 10:25:17 -0400 Received: (qmail 79510 invoked by uid 60001); 31 May 2005 14:25:15 -0000 Message-ID: <20050531142515.79508.qmail$at$web26807.mail.ukl.yahoo.com> Received: from [213.140.56.83] by web26807.mail.ukl.yahoo.com via HTTP; Tue, 31 May 2005 16:25:15 CEST Date: Tue, 31 May 2005 16:25:15 +0200 (CEST) From: may abdelghani Subject: Radical Dimerization To: chemistry$at$ccl.net MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Hello,CCLers I want to study theoretically the Radical Dimerization of some monomers; I would like to know, in particularly, why some dimizations is not acceble (we can not build the polymer from this monomers). My question is: what are the properties (total energy, spin density, charge density ), that I should calculate, in order to answer on this problem? Best regard may abdelghani _____________________________________________________________________________ Dicouvrez le nouveau Yahoo! Mail : 1 Go d'espace de stockage pour vos mails, photos et vidios ! Criez votre Yahoo! Mail sur http://fr.mail.yahoo.com