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A theoretical study of the conformational preference of alkyl-and aryl-substituted pyrogallol[4]arenes and evidence of the accumulation of negative electrostatic potential within the cavity of their rccc conformers
ArticleAbstract: We report a theoretical study of the structural and electronic properties of the rccc and rctt confoPalabras claves:conformational preference, DFT, Electrostatic potential, Macromolecules, PyrogallolAutores:César H. Zambrano, Dueno E.E., Fernando Javier Torres, Miguel Angel Méndez, Robert A. Cazar, Sebastián ManzanoFuentes:scopusTheoretical indications on the relationship between pyrogallol[4]arenes dynamics of assembling and geometry
ArticleAbstract: Pyrogallol[4]arenes are macrocycles with high potential as building blocks for nanocapsules. We theoPalabras claves:Computational chemistry, Nanocapsules, Pyrogallol[4]arenesAutores:Fernando Javier Torres, Robert A. CazarFuentes:scopus