| Theoretical and Experimental Electrostatic Potential around the m-Nitrophenol Molecule M Drissi, N Benhalima, Y Megrouss, R Rachida, A Chouaih, F Hamzaoui Molecules 20 (3), 4042-4054, 2015 | 158 | 2015 |
| Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N'-(2, 4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide N Boukabcha, A Djafri, Y Megrouss, Ö Tamer, D Avcı, M Tuna, N Dege, ... Journal of Molecular Structure 1194, 112-123, 2019 | 60 | 2019 |
| Spectral investigation, TD-DFT study, Hirshfeld surface analysis, NCI-RDG, HOMO-LUMO, chemical reactivity and NLO properties of 1-(4-fluorobenzyl)-5-bromolindolin-2, 3‑dione N Boukabcha, A Benmohammed, MHM Belhachemi, M Goudjil, ... Journal of Molecular Structure 1285, 135492, 2023 | 52 | 2023 |
| Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, reduced density gradient and nonlinear optical investigation on (E)-N'-(4-nitrobenzylidene … O Kourat, A Djafri, N Benhalima, Y Megrouss, NEH Belkafouf, R Rahmani, ... Journal of Molecular Structure 1222, 128952, 2020 | 37 | 2020 |
| Synthesis, X-ray structure determination and related physical properties of thiazolidinone derivative by DFT quantum chemical method Y Megrouss, FT Baara, N Boukabcha, A Chouaih, A Hatzidimitriou, ... Acta Chim. Slov 66 (2), 490-500, 2019 | 23 | 2019 |
| Experimental and theoretical spectroscopic characterization, Hirshfield surface analysis, TD-DFT calculation, and nonlinear optical properties of (E)-1-[(2, 4, 6tribromophenyl … A Mansour, C Souheyla, M Youcef, B Nourdine, D Amel, GA Roufieda, ... Journal of Molecular Structure 1261, 132887, 2022 | 18 | 2022 |
| Synthesis, structural, spectroscopic, intermolecular interactions, kinetic stability, charge transfer method with DNA bases and electronic properties of (E)-3-(2-ethoxyphenyl … A Nekrouf, K Toubal, Y Megrouss, NEH Belkafouf, A Djafri, N Khelloul, ... Journal of Molecular Structure 1262, 133002, 2022 | 16 | 2022 |
| Electron Charge Density Distribution from X‐Ray Diffraction Study of the 4‐Methoxybenzenecarbothioamide Compound M Drissi, A Chouaih, Y Megrouss, F Hamzaoui Journal of Crystallography 2013 (1), 326457, 2013 | 13 | 2013 |
| Synthesis, crystal structure, Hirshfeld surface, energy framework, NCI-RDG, theoretical calculations and molecular docking of (Z) 4, 4′-bis [-3-N-ethyl-2-N'-(phenylimino … ZD Benyahlou, FT Baara, S Yahiaoui, Y Megrouss, N Boukabcha, A Djafri, ... Journal of Molecular Structure 1277, 134781, 2023 | 12 | 2023 |
| Determination of electrostatic parameters of a coumarin derivative compound C17H13NO3 by x-ray and density functional theory Y Megrouss, N Benhalima, R Bahoussi, N Boukabcha, A Chouaih, ... Chinese Physics B 24 (10), 106103, 2015 | 12 | 2015 |
| Synthesis, structural determination, Hirshfeld surface analysis, 3D energy frameworks, electronic and (static, dynamic) NLO properties of o-Nitroacetanilide (o-NAA): A combined … N Boukabcha, A Direm, M Drissi, Y Megrouss, N Khelloul, N Dege, ... Inorganic Chemistry Communications 133, 108884, 2021 | 10 | 2021 |
| Hirshfeld surface analysis, topological features and nonlinear optical properties of phthalonitrile derivative: low temperature experimental charge density and quantum … H Benaissi, M Drissi, S Yahiaoui, Y Megrouss, A Chouaih, F Hamzaoui Journal of Optoelectronics and Biomedical Materials Vol 10 (3), 73-82, 2018 | 9 | 2018 |
| Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3 … A Chebli, A Djafri, N Boukabcha, Y Megrouss, M Drissi, MHM Belhachemi, ... Journal of Molecular Structure 1310, 138287, 2024 | 8 | 2024 |
| Structural characterization, molecular docking assessment, drug-likeness study and DFT investigation of 2-(2-{1, 2-dibromo-2-[3-(4-chloro-phenyl)-[1, 2, 4] oxadiazol-5-yl]-2 … S Yahiaoui, Y Megrouss, N Boukabcha, NEH Belkafouf, N Khelloul, ... Journal of the Indian Chemical Society 99 (11), 100745, 2022 | 8 | 2022 |
| Quantum chemical investigation of spectroscopic, electronic and NLO properties of (1E, 4E)-1-(3-nitrophenyl)-5-phenylpenta-1, 4-dien-3-one N Benhalima, S Yahiaoui, N Boubegra, M Boulakoud, Y Megrouss, ... Int. J. Adv. Chem 6, 121-131, 2018 | 8 | 2018 |
| The electrostatic properties of 1, 2-dimethyl-3-nitrobenzene compound: ab initio calculation and X-ray charge density analysis N Boubegra, Y Megrouss, N Boukabcha, A Chouaih, F Hamzaoui Rasayan Journal of Chemistry 9 (4), 2016 | 6 | 2016 |
| Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of (E)-3 … S Smati, A Djafri, K Menad, N Boukabcha, R Rahmani, M Goudjil, ... Journal of Molecular Structure 1318, 139157, 2024 | 5 | 2024 |
| Experimental and theoretical spectroscopic characterization, Hirshfield surface analysis, TD-DFT calculation, and nonlinear optical properties of (E)-1-[(2, 4, 6tribromophenyl … M Azayez, S Chetioui, Y Megrouss, N Boukabcha, A Djedouani, ... J. Mol. Struct. 1261, 132887, 2022 | 5 | 2022 |
| Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene) thiazolo [3, 4-a] benzimidazole-2-thione H Khaldi, A Djafri, Y Megrouss, N Khelloul, A Chouaih Structure Reports 76 (12), 1832-1836, 2020 | 5 | 2020 |
| Synthesis, SC-XRD structure, spectroscopy, intermolecular interactions, DFT/TD-DFT investigation, and (static, dynamic) NLO properties of (2E, 5Z)-3-(4-fluorophenyl)-2-(4 … N Kheddam, A Djafri, Y Megrouss, R Rahmani, AR Guerroudj, ... Journal of Molecular Structure 1298, 136967, 2024 | 4 | 2024 |
