Caracterización de la reactividad intrínseca de los halobencenos en el modelo conceptual de la teoría de funcionales de la densidad (TFD) Characterization of the intrinsic reactivity of halobenzenes in the framework of conceptual DFT

Caracterización de la reactividad intrínseca de los halobencenos en el modelo conceptual de la teoría de funcionales de la densidad (TFD) Characterization of the intrinsic reactivity of halobenzenes in the framework of conceptual DFT

<abstract language="eng">The aim of this paper is to study the family of halobenzenes for characterizing their intrinsic reactivity and in this way to establish a rational order of the intrinsic reactivity of this family of molecules in the electrophilic aromatic substitution. This s...

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Bibliographic Details
Main Authors: José Luis Moncada, Guillermo Salgado Morán
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2008-01-01
Series:Química Nova
Subjects:
density functional theory
halobenzenes
electrophilicity
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422008000500057

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http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422008000500057

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