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dc.contributor.authorWijesooriya, Sanduni S.-
dc.contributor.authorPandithavidana, Dinesh R.-
dc.date.accessioned2023-01-04T03:07:33Z-
dc.date.available2023-01-04T03:07:33Z-
dc.date.issued2022-
dc.identifier.citationWijesooriya, S. S., & Pandithavidana, D. R. (2022). Investigation and Comparison of Antioxidant Potential of Catechins Present in Green Tea: DFT Study. Chemistry ; Chemical Technology, 16(4), 591–599. https://doi.org/10.23939/chcht16.04.591en_US
dc.identifier.urihttp://repository.kln.ac.lk/handle/123456789/25707-
dc.description.abstractDFT calculations were applied to compare the antioxidant potential of four major catechins present in green tea. The thermodynamic parameters related to three key mechanisms of primary antioxidant action were investigated in detail. Molecular orbital energies, absolute hardness, electronegativity, and electrophilicity index, which contributed to the radical scavenging were also investigated. The radical scavenging potential of each hydroxyl group of these polyphenolic antioxidants were investigated independently.en_US
dc.publisherChemistry Chemical Technologyen_US
dc.subjectDFT, catechins, hydrogen atom transfer, single electron transfer–proton transfer, sequential proton loss–electron transfer, HOMO-LUMOen_US
dc.titleInvestigation and Comparison of Antioxidant Potential of Catechins Present in Green Tea: DFT Studyen_US
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