| Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment EC Agwamba, AD Udoikono, H Louis, EU Udoh, I Benjamin, AT Igbalagh, ... Chemical Physics Impact 4, 100076, 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 | 71 | 2022 |
| 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 | 49 | 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 | 43 | 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 |
| Computational study on nickel doped encapsulated Mg, K, Ca on pristine C24 nanocage for gas sensing applications AD Nwagu, H Louis, HO Edet, I Benjamin, VN Osabor, AS Adeyinka Materials Science in Semiconductor Processing 157, 107334, 2023 | 28 | 2023 |
| 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 | 24 | 2023 |
| First principle density functional theory study on the electrochemical properties of cyclohexanone derivatives as organic carbonyl-based cathode material for lithium-ion batteries TC Egemonye, H Louis, TO Unimuke, TE Gber, HO Edet, VM Bassey, ... Arab J Chem 15 (23), 104026, 2022 | 24 | 2022 |
| Studies on transition metals (Rh, Ir, Co) doped silicon carbide nanotubes (SiCNT) for the detection and adsorption of acrolein: Insight from DFT approach I Oyo-Ita, H Louis, VC Nsofor, HO Edet, TE Gber, FO Ogungbemiro, ... Materials Science and Engineering: B 296, 116668, 2023 | 23 | 2023 |
| Heteroatoms (B, N, and P) doped on nickel-doped graphene for phosgene (COCl2) adsorption: insight from theoretical calculations DO Odey, HO Edet, H Louis, TE Gber, AD Nwagu, SA Adalikwu, ... Materials Today Sustainability 21, 100294, 2023 | 22 | 2023 |
| Antibacterial potential of 2-(-(2-Hydroxyphenyl)-methylidene)-amino) nicotinic acid: experimental, DFT studies, and molecular docking approach IG Osigbemhe, H Louis, EM Khan, EE Etim, EE Oyo-Ita, AP Oviawe, ... Applied Biochemistry and Biotechnology 194 (12), 5680-5701, 2022 | 22 | 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 | 21 | 2022 |
| Antibacterial potential of N-(2-furylmethylidene)-1, 3, 4-thiadiazole-2-amine: Experimental and theoretical investigations IG Osigbemhe, EE Oyoita, H Louis, EM Khan, EE Etim, HO Edet, ... Journal of the Indian Chemical Society 99 (9), 100597, 2022 | 21 | 2022 |
| Synthesis, characterization, DFT studies, and molecular modeling of 2-(-(2-hydroxy-5-methoxyphenyl)-methylidene)-amino) nicotinic acid against some selected bacterial receptors IG Osigbemhe, H Louis, EM Khan, EE Etim, DO Odey, AP Oviawe, ... Journal of the Iranian Chemical Society 19 (8), 3561-3576, 2022 | 21 | 2022 |
| Intermolecular interactions of cytosine DNA nucleoside base with Gallic acid and its Methylgallate and Ethylgallate derivatives DO Odey, H Louis, DK Ita, HO Edet, PB Ashishie, TE Gber, A Akinterinwa, ... ChemistrySelect 8 (9), e202203832, 2023 | 18 | 2023 |
| 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 |
| 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 | 16 | 2023 |
| Computational Study of the Interaction of C12P12 and C12N12 Nanocages with Alendronate Drug Molecule L Hitler, JF Eze, AD Nwagu, HO Edet, TO Unimuke, EA Eno, VN Osabor, ... ChemistrySelect 8 (1), e202203607, 2023 | 15 | 2023 |
| Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT GJ Ogunwale, H Louis, TO Unimuke, GE Mathias, AE Owen, HO Edet, ... ACS omega 8 (15), 13551-13568, 2023 | 14 | 2023 |
| Toward Site-Specific Interactions of nH2 (n = 1–4) with Ga12As12 Nanostructured for Hydrogen Storage Applications UG Chuwkwu, H Louis, HO Edet, TO Unimuke, PO Olagoke, AS Adeyinka Energy & Fuels 37 (2), 1353-1369, 2023 | 13 | 2023 |
Hitler LouisComputational and Bio-Simulation Research Group, University of Calabar, Nigeria在 unical.edu.ng 的电子邮件经过验证
