| Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction H Louis, OJ Ikenyirimba, TO Unimuke, GE Mathias, TE Gber, AS Adeyinka Scientific reports 12 (1), 15608, 2022 | 47 | 2022 |
| Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone EA Eno, FA Patrick-Inezi, H Louis, TE Gber, TO Unimuke, EC Agwamba, ... Chemical Physics Impact 5, 100094, 2022 | 35 | 2022 |
| Metal-Doped Al12N12X (X = Na, Mg, K) Nanoclusters as Nanosensors for Carboplatin: Insight from First-Principles Computation H Louis, GE Mathias, OJ Ikenyirimba, TO Unimuke, D Etiese, AS Adeyinka The Journal of Physical Chemistry B 126 (27), 5066-5080, 2022 | 29 | 2022 |
| Synthesis, characterization and theoretical investigations on the molecular structure, electronic property and anti-trypanosomal activity of benzenesulphonamide-based … FC Asogwa, UD Izuchukwu, H Louis, CC Eze, CM Ekeleme, JA Ezugwu, ... Polycyclic Aromatic Compounds 43 (10), 8690-8709, 2023 | 20 | 2023 |
| Antibacterial potential of N-(2-furylmethylidene)-1, 3, 4-thiadiazole-2-amine: Experimental and theoretical investigations IG Osigbemhe, EE Oyoita, H Louis, EM Khan, EE Etim, HO Edet, ... Journal of the Indian Chemical Society 99 (9), 100597, 2022 | 19 | 2022 |
| 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 |
| Advancing optoelectronic performance of organic solar cells: Computational modeling of non-fullerene donor based on end-capped triphenyldiamine (TPDA) molecules MD Mohammadi, F Abbas, H Louis, OJ Ikenyirimba, GE Mathias, F Shafiq Computational and Theoretical Chemistry 1226, 114201, 2023 | 10 | 2023 |
| X-ray crystallography, molecular structure investigation, quantum chemical studies, and molecular dynamic of rheosmin as inhibitors of hemorrhagic Lassa Virus EL Kechi, BE Inah, OC Godfrey, UO Edet, EE Antai, OJ Ikenyirimba, ... Journal of Molecular Structure 1292, 136048, 2023 | 8 | 2023 |
| Adsorption mechanism of AsH3 pollutant on metal-functionalized coronene C24H12-X (X= Mg, Al, K) quantum dots EC Agwamba, AD Udoikono, H Louis, GE Mathias, I Benjamin, ... Chemical Physics Impact 6, 100224, 2023 | 8 | 2023 |
| Single metal-doped silicon (Si59X; X= Nb, Mo, Y, Zr) nanostructured as nanosensors for N-Nitrosodimethylamine (NDMA) pollutant: Intuition from computational study EC Agwamba, GE Mathias, H Louis, OJ Ikenyirimba, TO Unimuke, ... Materials Today Communications 35, 106173, 2023 | 6 | 2023 |
| Synthesis, characterization, DFT studies and molecular docking investigation of 2-oxo-ethyl piperidine pentanamide-derived sulfonamides as anti-diabetic agents FC Asogwa, EC Ogechi, H Louis, UD Izuchukwu, CG Apebende, ... Results in Chemistry 4, 100672, 2022 | 5 | 2022 |
| Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol EED Okon, H Louis, D Etiese, TO Unimuke, GE Mathias, EA Eno, ... Chemical Physics Impact 7, 100243, 2023 | 3 | 2023 |
| Endohedral doping of Ca12O12-X (X= Zn, Cd, and Hg) as hydrogen storage materials MD Mohammadi, H Louis, OJ Ikenyirimba, GE Mathias, TO Unimuke, ... International Journal of Hydrogen Energy 48 (76), 29446-29460, 2023 | 3 | 2023 |
| Quantum Chemical Modeling of CH3NH3MX3 (MAM* X3: M*= Sn, Si, Ge; X= Cl, Br, I) Lead-Free Perovskites in Comparison with Lead-Based Perovskite Materials HLTOUJOIGEMAS Adeyinka Chemistry Africa, 2023 | 3 | 2023 |
| High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material TO Unimuke, H Louis, OJ Ikenyirimba, GE Mathias, AS Adeyinka, CB Nasr Scientific Reports 13 (1), 10837, 2023 | 2 | 2023 |
| Molecular Simulation of the Interaction of Diclofenac with Halogen (F, Cl, Br)-Encapsulated Ga12As12 Nanoclusters IC Nwobodo, H Louis, TO Unimuke, OJ Ikenyirimba, AC Iloanya, ... ACS omega 8 (20), 17538-17551, 2023 | 2 | 2023 |
| Molecular modeling of Cu-, Ag-, and Au-decorated aluminum nitride nanotubes for hydrogen storage application EA Eno, H Louis, PS Akpainyang, OJ Ikenyirimba, TO Unimuke, ... ACS Applied Energy Materials 6 (8), 4437-4452, 2023 | 2 | 2023 |
| Molecular modeling of Si60 fullerene and Nb-doped Si60 fullerene nanomaterials for SO2, NO2 and CO2 gas sensing EC Agwamba, MBA Eba, IF Alshdoukhi, A Shawabkeh, I Hossain, ... Materials Science and Engineering: B 299, 117022, 2024 | 1 | 2024 |
| Superconductivity, quantum capacitance, and electronic structure investigation of transition metals (X= Y, Zr, Nb, Mo) encapsulated silicon nanoclusters (Si59X): Intuition from … EC Agwamba, IJ Mbonu, YN Kavil, GE Mathias, AM Bakheet, ... Materials Today Communications 37, 107498, 2023 | 1 | 2023 |
| Surface engineering of non-platinum-based electrocatalysts for sustainable hydrogen production: Encapsulation, doping, and decoration approach TO Unimuke, IJ Mbonu, H Louis, GE Mathias, I Hossain, OJ Ikenyirimba, ... International Journal of Hydrogen Energy 51, 597-612, 2024 | | 2024 |
Hitler LouisComputational and Bio-Simulation Research Group, University of Calabar, NigeriaVerified email at unical.edu.ng
