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John A. Agwupuye
John A. Agwupuye
Lecturer, Department of Pure and Applied Chemistry, University of Calabar
Bestätigte E-Mail-Adresse bei unical.edu.ng
Titel
Zitiert von
Zitiert von
Jahr
Electronic structure investigation of the stability, reactivity, NBO analysis, thermodynamics, and the nature of the interactions in methyl-substituted imidazolium-based ionic …
JA Agwupuye, H Louis, TO Unimuke, P David, EI Ubana, YL Moshood
Journal of Molecular Liquids 337, 116458, 2021
852021
Aromaticity indices, electronic structural properties, and fuzzy atomic space investigations of naphthalene and its aza-derivatives
MM Edim, OC Enudi, BB Asuquo, H Louis, EA Bisong, JA Agwupuye, ...
Heliyon 7 (2), 2021
572021
Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3, 6-difluoro-p-xylene, 3, 6-dichloro-p-xylene and 3, 6-dibromo-pxylene: DFT study
EA Bisong, H Louis, TO Unimuke, JO Odey, EI Ubana, MM Edim, FT Tizhe, ...
Heliyon 6 (12), 2020
552020
Vibrational characterization and molecular electronic investigations of 2-acetyl-5-methylfuran using FT-IR, FT-Raman, UV–VIS, NMR, and DFT methods
VM Bassey, CG Apebende, PS Idante, H Louis, W Emori, CR Cheng, ...
Journal of Fluorescence 32 (3), 1005-1017, 2022
432022
Investigation on electronic structure, vibrational spectra, NBO analysis, and molecular docking studies of aflatoxins and selected emerging mycotoxins against wild-type …
JA Agwupuye, PA Neji, H Louis, JO Odey, TO Unimuke, EA Bisiong, ...
Heliyon 7 (7), 2021
382021
Analeptic activity of 2-hydroxyl-5-nitrobenzaldehyde: experimental, DFT studies, and in silico molecular docking approach
FS Patrick-Inezi, W Emori, H Louis, CG Apebende, EC Agwamba, ...
Healthcare Analytics 2, 100030, 2022
362022
Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents
JA Agwupuye, H Louis, TE Gber, I Ahmad, EC Agwamba, AB Samuel, ...
Chemical Physics Impact 5, 100122, 2022
352022
Theoretical insight into electronic and molecular properties of halogenated (F, Cl, Br) and hetero-atom (N, O, S) doped cyclooctane
JA Agwupuye, H Louis, OC Enudi, TO Unimuke, MM Edim
Materials Chemistry and Physics 275, 125239, 2022
282022
Synthesis, spectral characterization, and theoretical investigation of the photovoltaic properties of (E)-6-(4-(dimethylamino)phenyl)diazenyl)-2-octyl …
MI Ofem, H Louis, JA Agwupuye, US Ameuru, GC Apebende, TE Gber, ...
BMC chemistry 16 (1), 109, 2022
252022
Molecular modeling, DFT studies and biological evaluation of methyl 2, 8-dichloro-1, 2-dihydroquinoline-3-carboxylate
JA Agwupuye, TE Gber, HO Edet, M Zeeshan, S Batool, OEE Duke, ...
Chemical Physics Impact 6, 100146, 2023
242023
Synthesis, spectroscopic, DFT study, and molecular modeling of thiophene-carbonitrile against enoyl-ACP reductase receptor
TN Ntui, EE Oyo-Ita, JA Agwupuye, I Benjamin, IJ Eko, EI Ubana, ...
Chemistry Africa 6 (2), 945-966, 2023
222023
Experimental and theoretical studies of the electrochemical properties of mono azo dyes derived from 2-nitroso-1-naphthol, 1-nitroso-2-naphthol, and CI disperse yellow 56 …
JO Odey, H Louis, JA Agwupuye, YL Moshood, EA Bisong, OI Brown
Journal of Molecular Structure 1241, 130615, 2021
202021
Experimental, DFT study, and in silico molecular docking investigations of dichlorodiphenyltrichloroethane against human estrogen receptor alpha
TN Ntui, VN Osabor, PA Neji, MA Akpe, JA Agwupuye, SA Adalikwu, ...
Eclética Química 47 (3), 39-52, 2022
142022
Understanding the aqueous chemistry of quinoline and the diazanaphthalenes: insight from DFT study
OC Enudi, H Louis, MM Edim, JA Agwupuye, FO Ekpen, EA Bisong, ...
Heliyon 7 (7), 2021
142021
Theoretical investigation of the stability, reactivity, and the interaction of methyl-substituted peridinium-based ionic liquids
EA Bisong, H Louis, TO Unimuke, VM Bassey, JA Agwupuye, LI Peter, ...
Physical Sciences Reviews 8 (8), 1165-1179, 2023
132023
Metals (Cu, Ag, Au) encapsulated gallium nitride nanotubes (GaNNTs) as sensors for hexabromodiphenyl ether (HBDE) emerging organic pollutant: A computational study
FO Ogungbemiro, H Louis, I Benjamin, GA Okon, IE Okon, JA Agwupuye, ...
Journal of Saudi Chemical Society 27 (4), 101667, 2023
82023
Assessment of underground water quality in Okobo local government area of Akwa Ibom State, Nigeria
IM Umana, PA Neji, JA Agwupuye
Applied Water Science 12 (5), 106, 2022
82022
Synthesis, characterization, and theoretical investigation of 4-chloro-6 (phenylamino)-1, 3, 5-triazin-2-yl) asmino-4-(2, 4-dichlorophenyl) thiazol-5-yl-diazenyl) phenyl as …
EA Eno, H Louis, TO Unimuke, TGC Egemonye, SA Adalikwu, ...
Physical Sciences Reviews 8 (12), 4839-4857, 2023
62023
Proximate composition, mineral content, phytochemical screening and anti-nutritional constituents of walnut (Tetracarpidium conophorum OR Plukenetia conophora) seeds
AP Neji, JA Agwupuye
International Journal of Scientific and Research Publications (IJSRP) 9 (7 …, 2019
62019
Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3, 6-difluoro-p-xylene, 3, 6-dichloro-p-xylene and 3, 6-dibromo-pxylene: DFT study. Heliyon …
EA Bisong, H Louis, TO Unimuke, JO Odey, EI Ubana, MM Edim, FT Tizhe, ...
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