From chemistry-request@www.ccl.net  Wed Feb 24 11:23:13 1999
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From: "Yu-Ran Luo" <luo@seas.marine.usf.edu>
To: <chemistry@www.ccl.net>
Subject: RE: CCL: Thermochemistry of radicals
Date: Wed, 24 Feb 1999 11:24:26 -0500
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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