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Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital-weighted fukui function
(John Wiley and Sons Inc., 2017)
The aromatic carbon-carbon ipso-substitution reaction
(Wiley VCH Verlag, 2010-12)
The aim of this review is to illustrate what we have dubbed an aromatic carbon-carbon ipso-substitution reaction in which a new Ar-C bond is formed at the expense of another Ar-C bond. The potentiality of several C-based ...
Relationship between the electrophilicity of substituting agents and substrate selectivity in Friedel-Crafts reactions
(PERGAMON-ELSEVIER SCIENCE, 2005-01-24)
The global electrophilicity index evaluated at the ground state of benzylating and acylating agents shows a quantitative linear relationship with the experimental substrate selectivity index evaluated for a series of ...
Electron localization function as a measure of electron delocalization and aromaticity
(2011)
The Electron Localization Function (ELF) has played in the last time an important role in understanding the special characteristics of the chemical bond. The chemical interpretation of the ELF as an indicator of the regions ...
Aromatic nucleophilic substitution in aprotic solvents using hydrogen-bonded biological amines; kinetics studies and quantum chemical calculations
(Wiley, 2015-12)
Intermolecular and intramolecular non-bonding interactions play a crucial role in determining physical and biological properties of relevant amines, and we have recently reported that they are also responsible for changing ...