| DFT investigation of solvent, substituent, and catalysis effects on the intramolecular Diels-Alder reaction R Gara, MO Zouaghi, LMH ALshandoudi, Y Arfaoui Journal of molecular modeling 27 (5), 125, 2021 | 21 | 2021 |
| Density functional theory investigation of the electronic and optical properties of metallo-phthalocyanine derivatives MO Zouaghi, Y Arfaoui, B Champagne Optical Materials 120, 111315, 2021 | 16 | 2021 |
| Mechanistic density functional theory study of the Claisen Rearrangement Diels-Alder Cycloaddition domino sequence for the synthesis of the caged garcinia xanthone R Omrani, MO Zouaghi, Y Arfaoui Journal of Molecular Structure 1202, 127305, 2020 | 16 | 2020 |
| Chemosensing properties of coumarin derivatives: promising agents with diverse pharmacological properties, docking and DFT investigation SM Al-Hazmy, MO Zouaghi, JN Al-Johani, Y Arfaoui, R Al-Ashwal, ... Molecules 27 (18), 5921, 2022 | 13 | 2022 |
| Regio-and stereoselectivity of the [3+ 2] cycloaddition of nitrones with methyl-acetophenone: A DFT investigation MO Zouaghi, MY Doggui, Y Arfaoui Journal of Molecular Graphics and Modelling 107, 107960, 2021 | 13 | 2021 |
| Synthesis, crystal structures, DFT calculations, and catalytic application in hydrosilylation of acetophenone derivatives with triethylsilane of novel rhoduim-N-heterocyclic … S Hassen, MO Zouaghi, I Slimani, Y Arfaoui, N Özdemir, I Özdemir, ... Journal of Molecular Structure 1265, 133397, 2022 | 9 | 2022 |
| A preliminary study on cellulose acetate composite membranes: Effect of nanoparticles types in their preparation and application A Boughdiri, I Ounifi, H Chemingui, C Ursino, A Gordano, MO Zouaghi, ... Materials Research Express 9 (1), 015003, 2022 | 9 | 2022 |
| σ‐Hole intermolecular interactions between carbon oxides and dihalogens: Ab‐initio investigations E Rahali, M Oussama Zouaghi, JF Sanz, N Raouafi, Y Arfaoui Journal of Computational Chemistry 44 (15), 1426-1436, 2023 | 7 | 2023 |
| Biological determination, molecular docking and Hirshfeld surface analysis of rhoduim (I)-N-heterocyclic carbene complex: synthesis, crystal structure, DFT calculations … MO Zouaghi, N Amri, S Hassen, Y Arfaoui, N Özdemir, I Özdemir, ... Inorganica Chimica Acta 551, 121459, 2023 | 7 | 2023 |
| Synthesis, molecular docking, molecular dynamics and ADMET prediction studies of novel (S)-Verbenone-Arylidene-Isoxazoline hybrids M Fawzi, Y Laamari, SJ Koyambo-Konzapa, MO Zouaghi, A Oubella, ... Journal of Molecular Structure 1318, 139178, 2024 | 4 | 2024 |
| Porphyrin and phthalocyanine heavy metal removal: overview of theoretical investigation for heterojunction organic solar cell applications R Gara, MO Zouaghi, Y Arfaoui Journal of Molecular Modeling 29 (8), 259, 2023 | 4 | 2023 |
| An efficient approach to 3, 4-fused δ-lactone-γ-lactams bicyclic moieties as anti-Alzheimer agents S Taktouk, R Omrani, M Ameur, MO Zouaghi, ARE Ouederni Structural Chemistry 34 (4), 1577-1589, 2023 | 3 | 2023 |
| DFT Study of Regio-and Stereoselective 13DC Reaction between Diazopropane and Substituted Chalcone Derivatives: Molecular Docking of Novel Pyrazole Derivatives as Anti … SM Al-Hazmy, MO Zouaghi, N Amri, Y Arfaoui, IA Alhagri, N Hamdi Molecules 28 (4), 1899, 2023 | 3 | 2023 |
| Experimental and Quantum Mechanical Investigation of N-heterocyclic Carbene Palladium Complex: Synthesis and Antibacterial Activity I Slimani, M Zouaghi, N Jebli, A Youssef, N ÖZDEMİR, I Özdemir, ... Biointerface Research in Applied Chemistry 12 (6), 2022 | 3 | 2022 |
| Synthesis, characterization, optical properties, biological activity and theoretical studies of a 4 nitrobenzylidene) amino) phenyl) imino) methyl) naphthalen-2-ol-based … SM AlHazmy, MO Zouaghi, AN Al-Hakimi, T Alorini, IA Alhagri, Y Arfaoui, ... Heliyon 10 (5), 2024 | 2 | 2024 |
| Novel Nonsymmetrically benzimidazolium salts and their silver (I)-N-heterocyclic carbene complexes: Synthesis, crystal structure, DFTstudies and anticancer activities DB Salah, MO Zouaghi, S Hassen, Y Arfaoui, L Mansour, S Al-Quraishy, ... Inorganica Chimica Acta 574, 122398, 2025 | 1 | 2025 |
| Mechanistic Study of the Carbonylation of Aziridines to β‐Lactams: Alkylation, Solvent and Molecular NaBr and MgO Clusters Catalysts Effects A Jendoubi, MO Zouaghi, Y Arfaoui, F Guégan, MM Al‐Mogren, M Hochlaf Journal of Computational Chemistry 46 (5), e70061, 2025 | | 2025 |
| Benzimidazole derivatives as a new scaffold of anticancer agents: Synthesis, optical properties, crystal structure and DFT calculations MO Zouaghi, D Bensalah, S Hassen, Y Arfaoui, L Mansour, N Özdemir, ... Heliyon, 2024 | | 2024 |
| Synthesis, characterization and computational study of the conjugated thiol-systems for self-assembled monolayers on gold electrode B Haouas, MO Zouaghi, MAB Aissa, B Batanero, Y Arfaoui Journal of Molecular Structure 1296, 136832, 2024 | | 2024 |
| Experimental and DFT Structure Investigation of Pyridine Interaction with Dihalogen Molecules, UV–Visible, Cyclic Voltammetry and Hirshfeld Surface Analysis R Gara, MO Zouaghi, Y Arfaoui Chemistry Africa 6 (5), 2593-2608, 2023 | | 2023 |