Conclusion and recommendations

So now the main results of this investigation could be summed as follows:

1. As a result of close theoretical study of the reaction path of radical addition to the C=C bond, a new computational scheme of reactivity of reagents is proposed for this class of reactions.
2. The following form of dependencies is proposed for building nonlinear correlation schemes:
   , where x_i and x_j are some parameters of reagents. This form of dependency is closely related to calculations using the methods of perturbation theory.

And the following recommendation arises:

before using a particular computational reactivity index to discuss experimentally observed reactivity, its suitability should be verified against computational reactivity data (by correlating it with quantum-chemically calculated activation barriers of the reaction under study); otherwise, any resulting correlation – whether successful or unsuccessful – may not reflect the actual situation.

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