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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)
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 ...
Specific nucleophile-electrophile interactions in nucleophilic aromatic substitutions
(ROYAL SOC CHEMISTRY, 2013)
Specific nucleophile-electrophile interactions in nucleophilic aromatic substitutions
(ROYAL SOC CHEMISTRY, 2013)
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions
(ELSEVIER SCIENCE PUBLISHERS B.V., 2009)
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions
(ELSEVIER SCIENCE PUBLISHERS B.V., 2009)
Five-Membered aromatic heterocycles in diels-alder cycloaddition reactions: Theoretical Studies as a Complement of the Experimental Researches
(Bentham Science Publishers, 2011-02)
The dienophilic behavior of electron-deficient substituted five-membered aromatic heterocyclices in polar cycloaddition reactions is studied from a theoretical point of view employing the global electrophilicity index to ...
Specific nucleophile–electrophile interactions in nucleophilic aromatic substitutions
(Royal Society of Chemistry, 2013)
We herein report results obtained from an integrated experimental and theoretical study on aromatic nucleophilic substitution (S(N)Ar) reactions of a series of amines towards 1-fluoro-2,4-dinitrobenzene in water. Specific ...
Specific nucleophile–electrophile interactions in nucleophilic aromatic substitutions
(Royal Society of Chemistry, 2013)
We herein report results obtained from an integrated experimental and theoretical study on aromatic nucleophilic substitution (S(N)Ar) reactions of a series of amines towards 1-fluoro-2,4-dinitrobenzene in water. Specific ...