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+~~NOTOC~~
 ====== Radical addition to the vinyl C=C bond: Quantum chemistry model of the reaction ======
 ===== Abstract =====
-Transition states of radical addition of C and O centered radicals to vinyl monomers were studied by MNDO UHF. Linear relationships between activation barriers and the enthalpies of addition were found in all reaction series. To expose factors of reactivity, calculated activation barriers were subjected to energy partitioning procedure, and an attempt was made to correlate those parts with monomolecular and bimolecular indexes of reactivity (such as deformation energies of monomers, CT-energies((Charge Transfer Energy)), etc). Shown that a satisfactory 2-parameter linear correlation can be built. Problems of PMO((Perturbation molecular orbitals theory)) theory application to considered class of reactions were discussed and alternative method of calculation of CT-energies by using monomolecular parameters proposed. Resulting scheme of reactivity applied to existing experimental data on reactivity in radical addition reactions, optimized parameters of large group of reagents tabulated.
+Transition states of radical addition of C and O centered radicals to vinyl monomers were studied by MNDO UHF. Linear relationships between activation barriers and the enthalpies of addition were found in all reaction series. To expose factors of reactivity, calculated activation barriers were subjected to energy partitioning procedure, and an attempt was made to correlate those parts with monomolecular and bimolecular indexes of reactivity (such as deformation energies of monomers, CT-energies((Charge Transfer Energy)), etc). Shown that a satisfactory 2-parameter linear correlation can be built. Problems of PMO((Perturbation Molecular Orbitals theory)) theory application to considered class of reactions were discussed and alternative method of calculation of CT-energies by using monomolecular parameters proposed((**these parameters have the physical meaning of the electronegativities of the reaction centers of the molecules**)). Resulting scheme of reactivity applied to existing experimental data on reactivity in radical addition reactions, optimized parameters of large group of reagents tabulated.
 **Published**:\\
 Sokolov, A. V. (2002), Radical addition to the vinyl C=C bond: Quantum chemistry model of the reaction. [[http://onlinelibrary.wiley.com/doi/10.1002/qua.10173|International Journal of Quantum Chemistry, 88: 358–369. doi: 10.1002/qua.10173]]
+==== Appendix ====
+[[calculator|Online calculator of the relative reactivity of vinyl monomers]]
+----
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