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PM6 and DFT study of free radical scavenging activity of morin

✍ Scribed by Zoran Marković; Dejan Milenković; Jelena Đorović; Jasmina M. Dimitrić Marković; Višnja Stepanić; Bono Lučić; Dragan Amić

Book ID
113626985
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
408 KB
Volume
134
Category
Article
ISSN
0308-8146

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DFT study of free radical scavenging act
DFT study of free radical scavenging activity of erodiol
✍ Marković, Zoran; Đorović, Jelena; Dekić, Milan; Radulović, Milanka; Markovi 📂 Article 📅 2013 🏛 Versita 🌐 English ⚖ 405 KB

Antioxidant activity of erodiol was examined at the M05-2X/6-311+G(d,p) level of theory in the gas and aqueous phases. The structure and energy of radicals and anions of the most stable erodiol rotamer were analyzed. To estimate antioxidant potential of erodiol, different molecular properties were e