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Density functional theory studies of the antioxidants—a review

Samira Mahmoudi, Mehrdad Mohammadpour Dehkordi, Mohammad Hossein Asgarshamsi

2021Journal of Molecular Modeling91 citationsDOI

Topics & Concepts

Polarizable continuum modelDensity functional theoryHOMO/LUMOChemistryComputational chemistryHybrid functionalAntioxidantAromaticityHydrogen atomSolvent effectsMoleculeSolventOrganic chemistryAlkylFree Radicals and AntioxidantsComputational Drug Discovery MethodsPhotochemistry and Electron Transfer Studies
Density functional theory studies of the antioxidants—a review | Litcius