| Hydration of magnesite and dolomite minerals: new insights from ab initio molecular dynamics A Semmeq, Y Foucaud, N El Yamami, A Michailovski, S Lebègue, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 631, 127697, 2021 | 25 | 2021 |
| Unravelling the methylene blue adsorption mechanism on doped and nondoped polyaniline: A combined molecular modeling and experimental investigation S Djellali, A Touati, A Semmeq, M Kebaili, M Badawi, A Bonilla-Petriciolet International Journal of Chemical Engineering 2022 (1), 3181963, 2022 | 12 | 2022 |
| Adsorption of toluene and water over cationic-exchanged Y zeolites: A DFT exploration EP Hessou, LA Bédé, H Jabraoui, A Semmeq, M Badawi, V Valtchev Molecules 26 (18), 5486, 2021 | 12 | 2021 |
| In silico investigations of some Cyperus rotundus compounds as potential anti-inflammatory inhibitors of 5-LO and LTA4H enzymes F Fenanir, A Semmeq, Y Benguerba, M Badawi, MA Dziurla, S Amira, ... Journal of Biomolecular Structure and Dynamics 40 (22), 11571-11586, 2022 | 11 | 2022 |
| Effect of the main constituents of Pistacia lentiscus leaves against the DPPH radical and xanthine oxidase: experimental and theoretical study S Boucheffa, W Sobhi, A Attoui, S Selli, H Kelebek, A Semmeq, ... Journal of Biomolecular Structure and Dynamics 40 (20), 9870-9884, 2022 | 11 | 2022 |
| Ionization and fragmentation of uracil upon microhydration A Semmeq, S Ouaskit, A Monari, M Badawi Physical Chemistry Chemical Physics 21 (9), 4810-4821, 2019 | 11 | 2019 |
| Electronic structure and optical properties of isolated and TiO2‐grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD‐DFT S Daoudi, A Semmeq, M Badawi, X Assfeld, Y Arfaoui, M Pastore Journal of Computational Chemistry 40 (29), 2530-2538, 2019 | 10 | 2019 |
| Macromolecular vs molecular crowding in aqueous solutions: A comparative study of PEG400 and ethylene glycol A Semmeq, S Del Galdo, M Chiarini, I Daidone, C Casieri Journal of Molecular Liquids 394, 123713, 2024 | 4 | 2024 |
| Investigation of tautomerism of 1, 3, 5-triazine derivative, stability, and acidity of its tautomers from density functional theory LA Bede, AK Koffi, FLED Beke, A Semmeq, M Badawi Journal of Molecular Modeling 27, 1-11, 2021 | 4 | 2021 |
| Ab initio study of the stepwise versus concerted fragmentation pathways in microhydrated thymine radical Cations A Semmeq, A Monari, M Badawi, S Ouaskit Chemistry–A European Journal 25 (68), 15525-15534, 2019 | 4 | 2019 |
| DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets A Semmeq, M Badawi, A Hasnaoui, S Ouaskit, A Monari Chemistry–A European Journal 26 (49), 11340-11344, 2020 | 3 | 2020 |
| Calculations of the Structural, Elastic, Magnetic, and Electronic Properties of the New Compound BaZr0.5Mn0.5O3 with Tetragonal Structure F Temmar, A Boudali, F Driss Khodja, H Moujri, A Semmeq Journal of Superconductivity and Novel Magnetism 31, 3339-3346, 2018 | 3 | 2018 |
| Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane S Koudjina, WG Kanhounnon, GA Kpotin, AS Thomas, R Sawadogo, ... Journal of Molecular Graphics and Modelling 116, 108268, 2022 | 2 | 2022 |
| Structural and dynamic behaviour of concentrated aqueous solutions of (poly) ethylene glycols: Insight into the impact of hydrophobicity, hydrogen bonding and chain length A Semmeq, S Del Galdo, M Chiarini, I Daidone, C Casieri Journal of Molecular Liquids 411, 125654, 2024 | | 2024 |
| Tuning the optical properties of nanoconfined chromophores: a molecular understanding of environment effects A SEMMEQ, A CAROF, M PASTORE, G PRAMPOLINI, F INGROSSO | | 2022 |
| Nucleic Acids under Stress: Understanding and Simulating Nucleobase Fragmentation Pathways A Semmeq, M Badawi, MA Dziurla, S Ouaskit, A Monari ChemPlusChem 86 (10), 1426-1435, 2021 | | 2021 |
| In-silico Study of the Developed Hydroxychloroquine-based ACE2 Inhibitor Molecules Against COVID-19: Molecular Modeling and Docking K Zaher, NE Masango, W Sobhi, KE Kanouni, A Semmeq, Y Benguerba Engineering, Technology & Applied Science Research 11 (4), 7336-7342, 2021 | | 2021 |
| Calculations of the Structural, Elastic, Magnetic, and Electronic Properties of the New Compound BaZr {sub 0.5} Mn {sub 0.5} O {sub 3} with Tetragonal Structure F Temmar, A Boudali, F Driss Khodja, H Moujri, A Semmeq Journal of Superconductivity and Novel Magnetism 31 (10), 2018 | | 2018 |
| Tuning the Optical Properties of a Chromophore in a Nanoconfined Environment A SEMMEQ | | |
Michael BadawiUniversité de Lorraine在 univ-lorraine.fr 的电子邮件经过验证
