Faculty of Science, Engineering and Agriculture
Mwombeki Mwadham Kabanda
Associate Professor · Department of Chemistry
Academic Profile
Mwombeki Mwadham Kabanda
Department of Chemistry
Mwombeki Mwadham Kabanda
Associate Professor
Highest qualificationPhD Chemistry (University of Venda)
SpecialisationPhysical Chemistry and Computational Chemistry
Research Interests
Computational and theoretical chemistry with emphasis on density functional theory (DFT), molecular modelling, electronic structure, spectroscopy, molecular interactions, corrosion inhibition, antioxidant molecules and their metal complexes, perovskite materials, renewable energy, and green hydrogen technologies.
Current & Recent Projects
- Quantum-chemical studies of electrochemical reactions related to corrosion phenomena and corrosion inhibitors.
- DFT and TD-DFT studies of biologically active molecules and dimeric systems.
- Molecular conformations in vacuum and solvent environments.
- Hydrogen-bonding and solvent effects on molecular properties.
- Structure–activity relationships for drug design and corrosion inhibitors.
- Computational design and characterization of advanced materials for renewable energy applications.
Teaching Areas
- Thermodynamics (2nd and 3rd Year)
- Electrochemistry
- Quantum Chemistry
- Spectroscopy
- Statistical Thermodynamics
Professional Profiles
- ORCID: 0000-0003-1895-2280
- Google Scholar: https://scholar.google.com/citations?user=84XA7b4AAAAJ&hl=en
Recent Articles
- Sekgobela MR, Mathomu LM, Moyo NB, Nemadzhilili R, Kabanda MM, Madala NE. Geometrical isomerization of hydroxycinnamic acid under UV-light: Structural plasticity as a driver of metabolite complexity. Photochemistry and Photobiology (2026).
- Nemadzhilili R., Kabanda M.M. Chelation and redox modulation of iron and copper ions by vanillin and vanillic acid: Implications for metal-centred redox suppression. Computational and Theoretical Chemistry (2026).
- Bvumbi M.V., Zimuwandeyi M., Nemudzivhadi A.I., Kabanda M.M. Rotational barriers in N-methyl-cinnamoyl-chloroquine analogues: Variable temperature NMR spectroscopy and DFT studies. Journal of Molecular Structure (2025).