CALC ACTIVATION E AND STABILITY

From: "E. Lewars" <elewars $#at#$ alchemy.chem.utoronto.ca>
Subject: CALC ACTIVATION E AND STABILITY
Date: Thu, 24 Jun 1999 17:16:00 -0400 (EDT)

1999 June 24
 Hello,
 Does anyone know have some *experimental facts* for the relationship between
 ab initio (or DFT, or semiempirical) calculated activation enewrgies and
 stability? I mean simply the transition state energy minus the reactant energy,
 for formally unimolecular reactions, e.g. isomerizations, or decompositions.
   How high does the calculated barrier have to be for the compound to be
 isolable at room temperature, for example, from actual experience in the lab?
   Thanks
     E. Lewars
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