| 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 | 75 | 2021 |
| 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 | 47 | 2020 |
| 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 | 42 | 2021 |
| 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 | 36 | 2022 |
| 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 | 35 | 2022 |
| 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 | 34 | 2021 |
| 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 | 33 | 2022 |
| 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 | 24 | 2022 |
| 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 | 19 | 2023 |
| 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 | 19 | 2022 |
| 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 | 17 | 2021 |
| 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 | 14 | 2023 |
| 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 | 13 | 2021 |
| 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 | 10 | 2023 |
| 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 | 6 | 2023 |
| 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 | 6 | 2022 |
| 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 | 5 | 2023 |
| 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 | 4 | 2019 |
| Concentration of selected heavy metals in soil and edible vegetables in Obanliku Urban Area of Cross River State, Nigeria MA Akpe, J Odey, JA Agwupuye J. Sci. Res. Reports 24 (6), 1-8, 2019 | 2 | 2019 |
| Evaluation of heavy metals pollution status in sediments of Calabar River, South-South Nigeria DI Edodi, JA Agwupuye, VN Osabor, BI Onyebuenyi Journal of Environmental Science, Computer Science and Engineering and …, 2019 | 1 | 2019 |
Tomsmith O. UnimukePhD Candidate-Chemical and and Biomolecular Engineering, The University of Sydney, AustraliaVerified email at uni.sydney.edu.au
