A computer program, THERGAS, for thé automatic computation of ΔfH°, S° and [Math] of molecules and free radicals in the gas phase has been developed. The calculations use the methods of S.W. Benson: bond and group additivity with ring, cis, ortho, gauche, symmetry and optical isomer corrections - analysis of differences (symmetries, optical isomers, spin, translation, external rotation, vibrations, moments of inertia, potential barriers and BDE) between a free radical R• and its parent molecule RH.
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Müller et al. (1995) studied this question.