Revisiting the hydrogen atom transfer reactions through a simple and accurate theoretical model: Role of hydrogen bond energy in polyphenolic antioxidants
Rakiba Rohman, Raktim Nath, Rahul Kar
Topics & Concepts
ChemistryIntramolecular forceHydrogen atomRadicalComputational chemistryHydrogen bondBond-dissociation energyDissociation (chemistry)MoleculeHydrogenPolyphenolPhotochemistryChemical physicsPhysical chemistryOrganic chemistryAntioxidantAlkylFree Radicals and AntioxidantsComputational Drug Discovery MethodsChemistry and Chemical Engineering