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en:reactivity:radical_addition:conclusion [2026/09/17 20:39] – abcen:reactivity:radical_addition:conclusion [2026/09/23 11:12] (current) – abc
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   - The following form of dependencies is proposed for building nonlinear correlation schemes: \\ {{:reactivity:radical_addition:conclusion-1.png?direct&80|}} , where //x<sub>i</sub>// and //x<sub>j</sub>// are some parameters of reagents. This form of dependency is closely related to calculations using the methods of perturbation theory.   - The following form of dependencies is proposed for building nonlinear correlation schemes: \\ {{:reactivity:radical_addition:conclusion-1.png?direct&80|}} , where //x<sub>i</sub>// and //x<sub>j</sub>// 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: \\ +And the following recommendation arises: 
-//before using a particular computational reactivity index to discuss experimentally observed reactivity,+ 
 +**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); 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.//+otherwise, any resulting correlation -- whether successful or unsuccessful -- may not reflect the actual situation.**
  
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