From chemistry-request-: at :-www.ccl.net Wed Feb 24 11:23:13 1999 Received: from seas.marine.usf.edu (seas.marine.usf.edu [198.116.54.30]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id LAA20213 Wed, 24 Feb 1999 11:23:12 -0500 (EST) Received: from luo.marine.usf.edu (luo.marine.usf.edu [198.116.54.87]) by seas.marine.usf.edu (8.9.1a/8.9.1) with SMTP id LAA27502 for ; Wed, 24 Feb 1999 11:23:08 -0500 (EST) Message-ID: <001f01be6012$26979a20$573674c6%!at!%luo.marine.usf.edu> From: "Yu-Ran Luo" To: Subject: RE: CCL: Thermochemistry of radicals Date: Wed, 24 Feb 1999 11:24:26 -0500 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 4.72.3110.5 X-MimeOLE: Produced By Microsoft MimeOLE V4.72.3155.0 Hi, Sergio, You wrote: "What is the best method to calculate energies of reactions involving radicals? Is compound methods like CBS-Q as good choice?" I think I could give some answers for your questions. Please show me what reaction(s), free radicals are you interested in. I would point out the values of the BDEs (bond dissociation energies), heats of formation, and more. Yu-Ran Luo, Ph. D. http://molenergetics.simplenet.com