| A colorimetric chemosensor for distinct color change with (E)-2-(1-(3-aminophenyl)ethylideneamino)benzenethiol to detect Cu2+ in real water samples N Patil, RB Dhake, R Phalak, U Fegade, Inamuddin, M Naushad, ... Analytical Sciences 39 (8), 1413-1423, 2023 | | 2023 |
| A critical analysis of the binding pocket of Plasmodium falciparum Phosphatidylinositol‐4‐kinase enzyme NB Ncube, KK Govender, M Tukulula ChemistrySelect 8 (43), e202302189, 2023 | 1 | 2023 |
| A density functional theory-and atoms in molecules-based study of NiNTA and NiNTPA complexes toward physical properties controlling their stability. A new method of computing a … I Cukrowski, KK Govender Inorganic chemistry 49 (15), 6931-6941, 2010 | 24 | 2010 |
| A DFT study of disperse yellow 119 degradation mechanism by hydroxyl radical attack OO Wahab, LO Olasunkanmi, KK Govender, PP Govender ChemistrySelect 3 (46), 12988-12997, 2018 | 12 | 2018 |
| A DFT study of the chemical reactivity properties, spectroscopy and bioactivity scores of bioactive flavonols EO Akintemi, KK Govender, T Singh Computational and Theoretical Chemistry 1210, 113658, 2022 | 21 | 2022 |
| A DFT study of two-dimensional CdS/TiS2 on isotropic chalcogenide AgSbTe2 thermoelectric material: Electronic charge transfer and optical properties EM Kiarii, KK Govender, MA Mamo, PP Govender Current Applied Physics 40, 50-61, 2022 | 3 | 2022 |
| A DFT study on the effect of supporting titania on silica graphene epoxy graphene and carbon nanotubes-Interfacial properties and optical response EM Kiarii, KK Govender, PG Ndung'u, PP Govender Computational Condensed Matter 13, 6-15, 2017 | | 2017 |
| A DFT Study on the Transportation of Charge Carriers in Graphene Systems EM Kiarii, KK Govender, PG Ndungu, PP Govender J Material Sci Eng 6 (378), 2169-0022.1000378, 2017 | | 2017 |
| A first-principles study of half-Heusler intermetallic compound MgAgAs with 2D-TiC/2D-Mo2TiC composite material EM Kiarii, KK Govender, MA Mamo, PP Govender Theoretical Chemistry Accounts 137 (10), 136, 2018 | 1 | 2018 |
| A theoretical study of 2D AlN on 3D C4H6N6Ni2 clathrate thermoelectric material composites EM Kiarii, KK Govender, PP Govender SN Applied Sciences 1, 1-12, 2019 | 1 | 2019 |
| Accessing anti-HIV activity through the attenuation of USP18 activity: novel insights from molecular dynamic simulations, free-energy profiling, and multi-cellular inhibition … LT Sigauke, J Bvunzawabaya, G Le Bury, GA Dziwornu, S Boliar, ... bioRxiv, 2024.06. 23.600290, 2024 | | 2024 |
| Advancements and Perspectives in Folate‐Based Anticancer Drugs: Bridging Quantum and Classical Mechanics in Folate Receptor Research AJ Josiah, KK Govender, PP Govender, S Sinha Ray Advanced Theory and Simulations, 2400377, 2024 | | 2024 |
| AM1/d-CB1: A semiempirical model for QM/MM simulations of chemical glycobiology systems K Govender, J Gao, KJ Naidoo Journal of Chemical theory and Computation 10 (10), 4694-4707, 2014 | 42 | 2014 |
| An Updated Review (2015–2022) on the Phytochemistry and Pharmacological Importance of Lippia javanica (Burm. f.) Spreng. F Shode, S Sabiu, JO Aribisala, KK Govender Preprints, 2023 | | 2023 |
| Charge transport, interfacial interactions and synergistic mechanisms in BiNbO 4/MWO 4 (M= Zn and Cd) heterostructures for hydrogen production: Insights from a DFT+ U study F Opoku, KK Govender, CGCE Van Sittert, PP Govender Physical Chemistry Chemical Physics 19 (41), 28401-28413, 2017 | 23 | 2017 |
| Computational development and validation of a representative MDI-BDO–based polyurethane hard segment model B Karunarathna, RS Jayakody, L Karunanayake, KK Govender Journal of Molecular Modeling 27, 1-20, 2021 | 8 | 2021 |
| Computational investigation of the binding characteristics of β-amyloid fibrils EF Marondedze, KK Govender, PP Govender Biophysical chemistry 256, 106281, 2020 | 11 | 2020 |
| Computational profiling of the fast, base-free synthesis of quinolin-2 (1H)-ones BF Masora, PP Govender, EF Marondedze, KK Govender Computational and Theoretical Chemistry 1237, 114643, 2024 | | 2024 |
| Computational study of the mechanistic pathway of hydroxyl radical-initiated degradation of disperse red 73 dye OO Wahab, LO Olasunkanmi, KK Govender, PP Govender Chemistry Africa 5 (1), 135-148, 2022 | 2 | 2022 |
| Corrigendum to" Exploring the bioactivity of pentacyclic triterpenoids as potential antimycobacterial nutraceutics: Insights through comparative biomolecular modelling"[J. Mol … GF Tolufashe, MM Lawal, KK Govender, FO Shode, T Singh Journal of molecular graphics & modelling 106, 107939, 2021 | | 2021 |
Penny GovenderProfessor, Computational Chemistry, University of Johannesburg在 uj.ac.za 的电子邮件经过验证
