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Antioxidant Properties of Lapachol and Its Derivatives and Their Ability to Chelate Iron (II) Cation: DFT and QTAIM Studies

The elucidation of the complexation of lapachol and its derivatives to Fe(2+) cation has been done using the density functional theory (DFT). This complexation has been limited to bidentate and tridentate to Fe(2+) cation. Geometry optimizations have been implemented in gas and solution phase (water...

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Detalles Bibliográficos
Autores principales:	Pajoudoro, Djafarou Ngouh, Lissouck, Daniel, Ateba Amana, Baruch, Mfomo, Joseph Zobo, Abdallah, A. E. B., Toze, Alfred Aristide Flavien, Mama, Désiré Bikele
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Hindawi 2020
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7150675/ https://www.ncbi.nlm.nih.gov/pubmed/32318101 http://dx.doi.org/10.1155/2020/2103239

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