| Modeling of pristine, Ir-and Au-decorated C60 fullerenes as sensors for detection of Hydroxyurea and Nitrosourea drugs GJ Ogunwale, H Louis, TE Gber, AS Adeyinka Journal of Environmental Chemical Engineering 10 (6), 108802, 2022 | 42 | 2022 |
| Spectroscopic (UV–vis, FT-IR, FT-Raman, and NMR) analysis, structural benchmarking, molecular properties, and the in-silico cerebral anti-ischemic activity of 2-amino-6 … W Emori, GJ Ogunwale, H Louis, EC Agwamba, K Wei, TO Unimuke, ... Journal of Molecular Structure 1265, 133318, 2022 | 27 | 2022 |
| Density functional theory (DFT) computation of pristine and metal-doped MC59 (M= Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems CG Apebende, GJ Ogunwale, H Louis, I Benjamin, MT Kadiri, AE Owen, ... Materials Science in Semiconductor Processing 158, 107362, 2023 | 21 | 2023 |
| Pristine fullerene (C24) metals (Mo, Fe, Au) engineered nanostructured materials as an efficient electro-catalyst for hydrogen evolution reaction (HER): A density functional … EC Agwamba, H Louis, BB Isang, GJ Ogunwale, OJ Ikenyirimba, ... Materials Chemistry and Physics 297, 127374, 2023 | 16 | 2023 |
| Effects of alkali-metals (X= Li, Na, K) doping on the electronic, optoelectronic, thermodynamic, and X-ray spectroscopic properties of X–SnI3 halide perovskites DE Charlie, H Louis, GJ Ogunwale, IO Amodu, PB Ashishie, ... Computational Condensed Matter 35, e00798, 2023 | 14 | 2023 |
| Spectroscopic, structural, and intermolecular interactions of 4-(2-hydroxy-3-methoxybenzylideneamino)-N-(5-methylisoxazol-3-yl) benzenesulfonamide enol-imine and keto-amine isomers H Louis, GJ Ogunwale, EC Agwamba, TO Unimuke, EF Ahuekwe, ... Journal of Molecular Structure 1279, 134978, 2023 | 12 | 2023 |
| Modeling the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopy of X–SnO3 (X= Ag, Cs, Hf) perovskites GJ Ogunwale, H Louis, IO Amodu, DE Charlie, IJ Ikot, PO Olagoke, ... Computational and Theoretical Chemistry 1220, 114003, 2023 | 11 | 2023 |
| Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT GJ Ogunwale, H Louis, TO Unimuke, GE Mathias, AE Owen, HO Edet, ... ACS omega 8 (15), 13551-13568, 2023 | 10 | 2023 |
| Influence of alkaline-earth metals (B= Be, Mg, Ca) doping on the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopic studies of CsBCl3 halide … IJ Ikot, H Louis, GJ Ogunwale, IO Amodu, PB Ashishie, E Ekeng-ita, ... Journal of Materials Science 58 (15), 6656-6676, 2023 | 9 | 2023 |
| Effect of d-block metals (M= Ti, Zr, Hf) decorated fullerenes M@ C60 as sensor nanostructured materials for volatile organic compounds (VOCs): Approach from computational study VM Bassey, TE Gber, IJ Ikot, A Syed, GJ Ogunwale, MM Edim, MM Orosun, ... Inorganic Chemistry Communications 160, 111892, 2024 | 3 | 2024 |
| Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X= O, S, Se and Te) perovskites H Louis, EC Agwamba, UG Chukwu, GJ Ogunwale, TO Magu, ... Chemistry of Inorganic Materials 1, 100007, 2023 | 3 | 2023 |
| Understanding the Electronic Interactions, Vertical Excitation Analysis, and the Photovoltaic Properties of 5-(2-ethylhexyl)-1, 3-di (furan-2-yl)-4H-thieno [3, 4-c] pyrrole-4 … OC Enudi, H Louis, GJ Ogunwale, MT Kadiri, PM Okibe, IA Adejoro, ... | 3 | 2021 |
Hitler LouisComputational and Bio-Simulation Research Group, University of Calabar, NigeriaVerified email at unical.edu.ng
