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Adedapo Adeyinka
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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
1102022
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
962022
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
822022
RETRACTED: 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
812022
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
802022
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
752022
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
722015
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
682022
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
572022
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
552022
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
542022
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
532023
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
522022
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
482023
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
482022
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
472022
RETRACTED: 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
392022
Thiazole-pyrazoline hybrids as potential antimicrobial agent: Synthesis, biological evaluation, molecular docking, DFT studies and POM analysis
RHH Salih, AH Hasan, NH Hussen, FE Hawaiz, TB Hadda, J Jamalis, ...
Journal of Molecular Structure 1282, 135191, 2023
372023
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
342023
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
342022
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