| Understanding the lithiation mechanisms of pyrenetetrone-based carbonyl compound as cathode material for lithium-ion battery: Insight from first principle density functional theory H Louis, TE Gber, FC Asogwa, EA Eno, TO Unimuke, VM Bassey, BI Ita Materials Chemistry and Physics 278, 125518, 2022 | 96 | 2022 |
| Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM EA Eno, H Louis, TO Unimuke, TE Gber, IJ Mbonu, CJ Ndubisi, ... Journal of Ionic Liquids 2 (1), 100030, 2022 | 82 | 2022 |
| Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS 2 for NH 3 gas detection TE Gber, H Louis, AE Owen, BE Etinwa, I Benjamin, FC Asogwa, ... RSC advances 12 (40), 25992-26010, 2022 | 80 | 2022 |
| Antimicrobial activities of 1-phenyl-3-methyl-4-trichloroacetyl-pyrazolone: Experimental, DFT studies, and molecular docking investigation EA Eno, JI Mbonu, H Louis, FS Patrick-Inezi, TE Gber, TO Unimuke, ... Journal of the Indian Chemical Society 99 (7), 100524, 2022 | 71 | 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 |
| Experimental and computational modeling of the biological activity of benzaldehyde sulphur trioxide as a potential drug for the treatment of Alzheimer disease EA Eno, H Louis, P Ekoja, I Benjamin, SA Adalikwu, MM Orosun, ... Journal of the Indian Chemical Society 99 (7), 100532, 2022 | 51 | 2022 |
| Antispasmodic activity of carnosic acid extracted from rosmarinus officinalis: Isolation, spectroscopic characterization, DFT studies, and in silico molecular docking … K Wei, H Louis, W Emori, PS Idante, EC Agwamba, CR Cheng, EA Eno, ... Journal of Molecular Structure 1260, 132795, 2022 | 48 | 2022 |
| Synthesis, characterization, and theoretical studies of the photovoltaic properties of novel reactive azonitrobenzaldehyde derivatives H Louis, IB Onyebuenyi, JO Odey, AT Igbalagh, MJT Mbonu, EA Eno, ... RSC advances 11 (45), 28433-28446, 2021 | 45 | 2021 |
| 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 |
| 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 |
| Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H 2 S gas H Louis, D Etiese, TO Unimuke, AE Owen, AO Rajee, TE Gber, CM Chima, ... RSC advances 12 (47), 30365-30380, 2022 | 30 | 2022 |
| Transition Metal-Decorated B12N12–X (X = Au, Cu, Ni, Os, Pt, and Zn) Nanoclusters as Biosensors for Carboplatin I Benjamin, H Louis, GA Okon, SW Qader, LE Afahanam, CF Fidelis, ... ACS omega 8 (11), 10006-10021, 2023 | 28 | 2023 |
| Synthesis, stereochemistry and antimicrobial activity of copper (II) and nickel (II) complexes of 4-phenylsemicarbazones EN Nfor, SN Esemu, GA Ayimele, EA Eno, GE Iniama, OE Offiong Bulletin of the Chemical Society of Ethiopia 25 (3), 2011 | 24 | 2011 |
| Therapeutic Potential of B12N12-X (X = Au, Os, and Pt) Nanostructured as Effective Fluorouracil (5Fu) Drug Delivery Materials K Chukwuemeka, H Louis, I Benjamin, PA Nyong, EU Ejiofor, EA Eno, ... ACS Applied Bio Materials 6 (3), 1146-1160, 2023 | 23 | 2023 |
| Detection of hydrogen fluoride (HF) gas by Mg12O11-X (X= S, P, N, and B) nanosurfaces SA Adalikwu, H Louis, HO Edet, I Benjamin, TGC Egemonye, EA Eno, ... Chemical Physics Impact 5, 100129, 2022 | 21 | 2022 |
| Adsorption and gas-sensing investigation of oil dissolved gases onto nitrogen and sulfur doped graphene quantum dots BE Inah, JF Eze, H Louis, HO Edet, TE Gber, EA Eno, AN Etim, ... Chemical Physics Impact 7, 100265, 2023 | 20 | 2023 |
| Modeling of Re (I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR EA Eno, H Louis, TO Unimuke, TE Gber, JA Akpanke, IO Amodu, ... Chemical Physics Impact 5, 100105, 2022 | 19 | 2022 |
| Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca12O12 Nanostructured Material H Louis, TGC Egemonye, TO Unimuke, BE Inah, HO Edet, EA Eno, ... ACS omega 7 (39), 34929-34943, 2022 | 18 | 2022 |
| Photovoltaic properties of novel reactive azobenzoquinolines: experimental and theoretical investigations EA Eno, H Louis, TO Unimuke, EC Agwamba, AT Etim, JI Mbonu, HO Edet, ... Physical Sciences Reviews 8 (12), 4879-4901, 2023 | 17 | 2023 |
Hitler LouisComputational and Bio-Simulation Research Group, University of Calabar, NigeriaVerified email at unical.edu.ng
