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Antioxidant Potential of Novel Designed Phenolic Derivatives: Computational Insights

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dc.contributor.author Dinesh, R. Pandithavidana
dc.contributor.author Kushani, S. K. Hewage
dc.date.accessioned 2020-12-07T07:41:49Z
dc.date.available 2020-12-07T07:41:49Z
dc.date.issued 2020
dc.identifier.citation Dinesh R. Pandithavidana1, Kushani S. K. Hewage (2020). Antioxidant Potential of Novel Designed Phenolic Derivatives: Computational Insights in Chemistry & Chemical Technology Vol. 14, No. 4, 2020, Chemistry & Chemical Technology, pp. 448–454. https://doi.org/10.23939/chcht14.04.448 en_US
dc.identifier.uri http://repository.kln.ac.lk/handle/123456789/21715
dc.description.abstract Density functional theory calculations were applied for designed phenolic antioxidant derivatives. The reaction enthalpies related to various mechanisms of primary antioxidant action were deliberated in detail. How antioxidant activity of designed phenolic compounds has been perturbed by electron donor and withdrawing substituents present at ortho, meta and para positions, allylic conjugation and the dimerization effect were computed. http://science2016.lp.edu.ua/chcht/vol-14-2020-4 en_US
dc.publisher Chemistry & Chemical Technology en_US
dc.subject density functional theory, phenolic anti- oxidants, HAT mechanism, SET–PT mechanism. en_US
dc.title Antioxidant Potential of Novel Designed Phenolic Derivatives: Computational Insights en_US


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