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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 22(19), p. 14512-14519

DOI: 10.1039/c7cp01304c

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Study of antiradical mechanisms with dihydroxybenzenes using reaction force and reaction electronic flux

Journal article published in 2017 by Cristina Ortega-Moo ORCID, Rocio Durán ORCID, Bárbara Herrera, Soledad Gutiérrez-Oliva, Alejandro Toro-Labbé ORCID, Rubicelia Vargas ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Phenolic compounds represent an important category of antioxidants, DFT reactivity indexes proved that the substitution of electron donating groups in dihydroxybenzenes, favor the spontaneity of the hydrogen atom transfer mechanism.