Browsing by Author "Moncada, Jose Luis"
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- ItemA theoretical study of conducting oligomeric systems: The conceptual DFT perspective(2006) Moncada, Jose Luis; Toro Labbé, Alejandro
- ItemCharacterization of the intrinsic reactivity of halobenzenes in the framework of conceptual(SOC BRASILEIRA QUIMICA, 2008) Moncada, Jose Luis; Moran, Guillermo SalgadoThe 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 study was carried out in the framework of Density Functional Theory which provides a global and local index that can be used in the characterization of the reactivity. This index is related to some concept derivatives of experimental chemistry, being a good approach to the characterization of halobenzenes.