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- W1505380771 abstract "A theoretical study of the reactivity and regioselectivity of some aromatic compounds in electrophilic aromatic substitution is carried out at the B3LYP/6-31G(d) computational level. The relative reactivity of these systems is rationalized by means of the global nucleophilicity index proposed by Domingo’s group. The positional selectivity, namely o, m or p, is predicted by means of the local nucleophilicity indices [Parr fonctions]. The present study shows that the experimental trends of the relative reactivities and regioselectivities of these reactions are correctly predicted using Parr fonctions." @default.
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- W1505380771 date "2015-03-09" @default.
- W1505380771 modified "2023-09-25" @default.
- W1505380771 title "Understanding the Regioselectivity and Reactivity of Friedel–Crafts benzoylation Using Parr Functions" @default.
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- W1505380771 doi "https://doi.org/10.48317/imist.prsm/morjchem-v3i2.2585" @default.
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