| Structural benchmarking, density functional theory simulation, spectroscopic investigation and molecular docking of N-(1H-pyrrol-2-yl) methylene)-4-methylaniline as castration … FC Asogwa, EC Agwamba, H Louis, MC Muozie, I Benjamin, TE Gber, ... Chemical Physics Impact 5, 100091, 2022 | 91 | 2022 |
| Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies I Benjamin, AD Udoikono, H Louis, EC Agwamba, TO Unimuke, AE Owen, ... Journal of Molecular Structure 1264, 133298, 2022 | 85 | 2022 |
| Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X) H Louis, DE Charlie, IO Amodu, I Benjamin, TE Gber, EC Agwamba, ... ACS omega 7 (39), 35118-35135, 2022 | 74 | 2022 |
| Modeling of Ca12O12, Mg12O12, and Al12N12 nanostructured materials as sensors for phosgene (Cl2CO) H Louis, IO Amodu, TO Unimuke, TE Gber, BB Isang, AS Adeyinka Materials Today Communications 32, 103946, 2022 | 72 | 2022 |
| Spectroscopic, conformational analysis, structural benchmarking, excited state dynamics, and the photovoltaic properties of Enalapril and Lisinopril UJ Undiandeye, H Louis, TE Gber, TGC Egemonye, EC Agwamba, ... Journal of the Indian Chemical Society 99 (7), 100500, 2022 | 67 | 2022 |
| Reactive azo compounds as a potential chemotherapy drugs in the treatment of malignant glioblastoma (GBM): Experimental and theoretical studies AD Udoikono, H Louis, EA Eno, EC Agwamba, TO Unimuke, AT Igbalagh, ... Journal of Photochemistry and Photobiology 10, 100116, 2022 | 67 | 2022 |
| Meta-hybrid density functional theory prediction of the reactivity, stability, and IGM of azepane, oxepane, thiepane, and halogenated cycloheptane TO Unimuke, H Louis, EA Eno, EC Agwamba, AS Adeyinka ACS omega 7 (16), 13704-13720, 2022 | 60 | 2022 |
| Evaluating common QTAIM and NCI interpretations of the electron density concentration through IQA interaction energies and 1D cross-sections of the electron and deformation … I Cukrowski, JH de Lange, AS Adeyinka, P Mangondo Computational and Theoretical Chemistry 1053, 60-76, 2015 | 59 | 2015 |
| Hydrogen storage capacity of C12X12 (X= N, P, and Si) HO Edet, H Louis, I Benjamin, M Gideon, TO Unimuke, SA Adalikwu, ... Chemical Physics Impact 5, 100107, 2022 | 47 | 2022 |
| 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 |
| Molecular modeling of the spectroscopic, structural, and bioactive potential of tetrahydropalmatine: insight from experimental and theoretical approach W Emori, H Louis, SA Adalikwu, RA Timothy, CR Cheng, TE Gber, ... Polycyclic Aromatic Compounds 43 (7), 5958-5975, 2023 | 45 | 2023 |
| Modelling of aminothiophene-carbonitrile derivatives as potential drug candidates for hepatitis B and C I Benjamin, TE Gber, H Louis, TN Ntui, EI Oyo-Ita, TO Unimuke, MM Edim, ... Iranian Journal of Science and Technology, Transactions A: Science 46 (5 …, 2022 | 45 | 2022 |
| Computational study on the interactions of functionalized C24NC (NC=C, –OH, –NH2, –COOH, and B) with chloroethylphenylbutanoic acid BE Inah, H Louis, I Benjamin, TO Unimuke, AS Adeyinka Canadian Journal of Chemistry 101 (1), 11-24, 2022 | 45 | 2022 |
| Synthesis, vibrational analysis, molecular property investigation, and molecular docking of new benzenesulphonamide-based carboxamide derivatives against Plasmodium falciparum UD Izuchukwu, FC Asogwa, H Louis, EF Uchenna, TE Gber, UM Chinasa, ... Journal of Molecular Structure 1269, 133796, 2022 | 44 | 2022 |
| 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 |
| Heteroatoms (B, N, S) doped quantum dots as potential drug delivery system for isoniazid: insight from DFT, NCI, and QTAIM HO Edet, H Louis, TE Gber, PS Idante, TGC Egemonye, PB Ashishie, ... Heliyon 9 (1), 2023 | 41 | 2023 |
| (E)-2-((3-nitrophenyl) diazenyl)-3-oxo-3-phenylpropanal: experimental, DFT studies, and molecular docking investigations EC Agwamba, H Louis, I Benjamin, CG Apebende, TO Unimuke, HO Edet, ... Chemistry Africa 5 (6), 2131-2147, 2022 | 32 | 2022 |
| Antitubercolusic potential of amino-(formylphenyl) diazenyl-hydroxyl and nitro-substituted naphthalene-sulfonic acid derivatives: experimental and theoretical investigations EC Agwamba, I Benjamin, H Louis, AD Udoikono, AT Igbalagh, ... Chemistry Africa 5 (5), 1451-1467, 2022 | 32 | 2022 |
| Sensor behavior of transition-metals (X= Ag, Au, Pd, and Pt) doped Zn11-X-O12 nanostructured materials for the detection of serotonin H Louis, M Patrick, IO Amodu, I Benjamin, IJ Ikot, GE Iniama, AS Adeyinka Materials Today Communications 34, 105048, 2023 | 29 | 2023 |
| 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 |
Hitler LouisComputational and Bio-Simulation Research Group, University of Calabar, NigeriaVerified email at unical.edu.ng
