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Structural and Antioxidant Properties of Compounds Obtained from Fe(2+) Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies
The chelating ability of juglone and two of its derivatives towards Fe(2+)ion and the antioxidant activity (AOA) of the resulting chelates and complexes (in the presence of H(2)O and CH(3)OH as ligands) in gas phase is reported via bond dissociation enthalpy, ionization potential, proton dissociatio...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi Publishing Corporation
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5059648/ https://www.ncbi.nlm.nih.gov/pubmed/27774044 http://dx.doi.org/10.1155/2016/8636409 |