| A DFT mechanistic, thermodynamic and kinetic study on the reaction of 1, 3, 5-trihydroxybenzene and 2, 4, 6-trihydroxyacetophenone with •OOH in different media KP Otukile, MM Kabanda Journal of Theoretical and Computational Chemistry 18 (04), 1950023, 2019 | 10 | 2019 |
| A DFT mechanistic and kinetic study on the reaction of phloroglucinol with •OH in different media: Hydrogen atom transfer versus oxidation KP Otukile, MM Kabanda Journal of Theoretical and Computational Chemistry 18 (03), 1950017, 2019 | 8 | 2019 |
| A Theoretical study on the degradation of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole by OH in vacuo and aqueous media KP Otukile, L Mammino, MM Kabanda Computational and Theoretical Chemistry 1125, 112-127, 2018 | 6 | 2018 |
| Reactions of phloroglucinols with radical species, a theoretical study in different media KP Otukile North-West University (South Africa), 2020 | 1 | 2020 |
| Unravelling the Influence of Chlorogenic Acid on the Antioxidant Phytochemistry of Avocado (Persea americana Mill) Fruit Peel GO Izu, E Mfotie Njoya, GT Tabakam, J Nambooze, KP Otukile, SE Tsoeu, ... Antioxidants 13 (4), 456, 2024 | | 2024 |
| Computational insights into the antioxidant and antidiabetic mechanisms of cannabidiol: An in vitro and in silico study OL Erukainure, KP Otukile, KR Harejane, VF Salau, A Aljoundi, ... Arabian Journal of Chemistry 16 (7), 104842, 2023 | | 2023 |
| Leveraging Stereo-Electronic Factors for ab initio Design of Long-lived Hydroperoxyalkyl Radicals SC Kandpal, KP Otukile, S Jindal, S Senthil, C Matthews, S Chakraborty, ... arXiv preprint arXiv:2305.12706, 2023 | | 2023 |
| Stereo-electronic factors influencing the stability of hydroperoxyalkyl radicals: transferability of chemical trends across hydrocarbons and ab initio methods SC Kandpal, KP Otukile, S Jindal, S Senthil, C Matthews, S Chakraborty, ... Physical Chemistry Chemical Physics 25 (40), 27302-27320, 2023 | | 2023 |
| A Theoretical Study of the Preferred Reaction Mechanism Between Chloroacetic Acid and Thiourea MM Kabanda, KP Otukile Advances in Quantum Systems in Chemistry, Physics, and Biology: Selected …, 2020 | | 2020 |
| A DFT mechanistic and kinetic study on the reaction of phloroglucinol with (OH)-O-center dot in different media: Hydrogen atom transfer versus oxidation KP Otukile, MM Kabanda JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 18 (3), 2019 | | 2019 |
