| Molecular dynamics and density functional theory studies of γ-butyrolactone (GBL)+ ethanol and γ-valerolactone (GVL)+ ethanol liquid mixtures F Mbaiwa, M Nyepetsi Journal of Molecular Liquids 319, 114128, 2020 | 8 | 2020 |
| Understanding the interactions between triolein and cosolvent binary mixtures using molecular dynamics simulations M Nyepetsi, F Mbaiwa, OA Oyetunji, NH De Leeuw ACS omega 7 (12), 10212-10224, 2022 | 5 | 2022 |
| Chem4Energy: a consortium of the Royal Society Africa Capacity-Building Initiative MJ Ungerer, E Adei, T Amakali, CH Botchway, LS Daniel, J Darkwa, ... Interface Focus 14 (4), 20240001, 2024 | 2 | 2024 |
| Molecular dynamics study of the thermodynamic properties of triglyceride/methanol mixtures in the presence of cosolvent M Nyepetsi, OA Oyetunji, F Mbaiwa Journal of Molecular Liquids 399, 124431, 2024 | 2 | 2024 |
| The carbonate-catalyzed transesterification of sunflower oil for biodiesel production: in situ monitoring and Density Functional Theory calculations M Nyepetsi, F Mbaiwa, OA Oyetunji, NY Dzade, NH de Leeuw South African Journal of Chemistry 74, 42–49-42–49, 2021 | 2 | 2021 |
| ReaxFF study of the decarboxylation of methyl palmitate over binary metallic nickel-molybdenum catalysts M Nyepetsi, OA Oyetunji, F Mbaiwa Molecular Simulation 50 (3), 176-188, 2024 | 1 | 2024 |
