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Structure, Conformation, and Electronic Properties of Apigenin, Luteolin, and Taxifolin Antioxidants. A First Principle Theoretical Study

โœ Scribed by Leopoldini, Monica; Pitarch, Immaculada Prieto; Russo, Nino; Toscano, Marirosa


Book ID
118279723
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
189 KB
Volume
108
Category
Article
ISSN
1089-5639

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Electronic structures of Mg 1-x Cr x O (x = 0, 0.25, 0.5, 0.75) were investigated based on first-principles calculations using generalized gradient approximation (GGA) and GGA + U. Different magnetic and electronic properties are predicted from the calculated spin-dependent density of states near th