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http://repository.kln.ac.lk/handle/123456789/21715| Title: | Antioxidant Potential of Novel Designed Phenolic Derivatives: Computational Insights |
| Authors: | Dinesh, R. Pandithavidana Kushani, S. K. Hewage |
| Keywords: | density functional theory, phenolic anti- oxidants, HAT mechanism, SET–PT mechanism. |
| Issue Date: | 2020 |
| Publisher: | Chemistry & Chemical Technology |
| 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 |
| 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 |
| URI: | http://repository.kln.ac.lk/handle/123456789/21715 |
| Appears in Collections: | Chemistry |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Chemistry & Chemical Technology_DrDinesh.pdf | 139.98 kB | Adobe PDF | View/Open |
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