Conclusions
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1.
An additive-group scheme was developed for calculation of the enthalpies of formation of free radicals, ΔHf o(R⊙), in consideration of the energy of the electronic rearrangement in formation of a radical in the implicit form as a function of the position of the free valence in the radical.
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2.
The parameters of the scheme which would permit calculating ΔHf o(R⊙) for alkyl radicals and the energies of dissociation of the bonds in alkanes were determined in good agreement with the experimental data.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No, 5, pp. 1074–1078, May, 1984.
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Orlov, Y.D., Lebedev, Y.A. Calculation of the enthalpies of formation of free radicals and energies of dissociation of chemical bonds by a group contribution method. Russ Chem Bull 33, 987–990 (1984). https://doi.org/10.1007/BF01141710
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DOI: https://doi.org/10.1007/BF01141710