Antioxidant activity of Hibiscetin and Hibiscitrin: insight from DFT, NCI, and QTAIM
C. Ragi, K. Muraleedharan
Topics & Concepts
ChemistryIntramolecular forceMoleculeBond-dissociation energyDensity functional theoryComputational chemistryBasis setIntermolecular forceAtoms in moleculesHydrogen bondDissociation (chemistry)Molecular orbitalStereochemistryOrganic chemistryFree Radicals and AntioxidantsChemical Thermodynamics and Molecular StructureComputational Drug Discovery Methods