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Author

Youcef Megrouss

Observed names: Megrouss Youcef, Megrouss, Y., Megrouss, Youcef, Y Megrouss, Y. Megrous, Y. Megrouss, Youcef MEGROUSS
ORCID: 0000-0002-3823-6911
Observed ORCID: 0000-0002-3823-6911
OpenAlex ID: A5018567269
Theoretical and Experimental Electrostatic Potential around the m-Nitrophenol Molecule
2015 · Mokhtaria Drissi, Nadia Benhalima, et al. · Molecules · 158
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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
2023 · Nourdine Boukabcha, Abdelmadjid Benmohammed, et al. · Journal of Molecular Structure · 79
Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N'-(2,4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
2019 · N. Boukabcha, A. Djafri, et al. · Journal of Molecular Structure · 70
Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, reduced density gradient and nonlinear optical investigation on (E)-N'-(4-nitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide monohydrate: A combined experimental and DFT approach
2020 · Oumeria Kourat, Ahmed Djafri, et al. · Journal of Molecular Structure · 47
Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3-methoxybenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
2024 · Amar Chebli, Ahmed Djafri, et al. · Journal of Molecular Structure · 35
Experimental and theoretical spectroscopic characterization, Hirshfield surface analysis, TD-DFT calculation, and nonlinear optical properties of (E)-1-[(2,4,6tribromophenyl)diazenyl]-naphthalen-2-ol azo dye
2022 · Azayez Mansour, Chetioui Souheyla, et al. · Journal of Molecular Structure · 34
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) thiazolidin-4-one] methane
2022 · Zohra Douaa Benyahlou, Fayssal Triki Baara, et al. · Journal of Molecular Structure · 32
Synthesis, X-Ray Structure Determination and Related Physical Properties of Thiazolidinone Derivative by DFT Quantum Chemical Method
2019 · Youcef Megrouss, Fayssal Triki Baara, et al. · Acta chimica slovenica · 27
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Structural, nonlinear optical, and molecular docking studies of schiff base compounds as multi-target inhibitors of AChE, BChE, and carbonic anhydrases
2025 · Oumria Kourat, Nadia Benhalima, et al. · Scientific Reports · 21
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Synthesis, structural, spectroscopic, intermolecular interactions, kinetic stability, charge transfer method with DNA bases and electronic properties of (E)-3-(2-ethoxyphenyl)-5-(3-(2-methoxyphenyl)-4methylthiazol-2(3H)-ylidene)-2-thioxothiazolidin-4-one: Computational and experimental approach
2022 · Asma Nekrouf, Khaled Toubal, et al. · Journal of Molecular Structure · 20
Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of (E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2(3H)-ylidene) benzo[4,5] imidazo [1,2-c] thiazole-1(3H)-thione
2024 · Sabrina Smati, Ahmed Djafri, et al. · Journal of Molecular Structure · 15
Synthesis, SC-XRD structure, spectroscopy, intermolecular interactions, DFT/TD-DFT investigation, and (static, dynamic) NLO properties of (2E,5Z)-3-(4-fluorophenyl)-2-(4-fluorophenylimino)-5-((E)-3-(2-nitrophenyl) allyliden) thiazolidin-4-one
2023 · Narimane Kheddam, Ahmed Djafri, et al. · Journal of Molecular Structure · 15
Synthesis, structural determination, Hirshfeld surface analysis, 3D energy frameworks, electronic and (static, dynamic) NLO properties of o-Nitroacetanilide (o-NAA): A combined experimental and quantum chemical study
2021 · Nourdine Boukabcha, Amani Direm, et al. · Inorganic Chemistry Communications · 11
Electron Charge Density Distribution from X-Ray Diffraction Study of the 4-Methoxybenzenecarbothioamide Compound
2013 · Mokhtaria Drissi, Abdelkader Chouaih, et al. · Journal of Crystallography · 11
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Theoretical investigation, spectroscopic characterization, global chemical reactivity, nonlinear optical properties, and antioxidant activity of 2-(2,4-dimethoxybenzylidene)-hydrazono-1,2-diphenyl-ethanone
2025 · Samia DJABBOUR, Omar BESSEBOUA, et al. · Journal of Molecular Structure · 10
Design, synthesis, characterization, NCI-RDG, Hirshfield surface analysis, chemical reactivity and quantum chemical calculations of Z-3-N-ethyl-2-N-[(2-methoxyphenyl) imino] thiazolidin-4-one
2025 · Latifa Bensassi, Fayssal Triki-Baara, et al. · Journal of Molecular Structure · 10
Synthesis, structure, spectra, NLO behavior, and in-silico study on anti-tumor and anti-tuberculosis efficacy of (Z)-3-((Z)-3-phenylallylidene)benzo[4,5]imidazo[1,2-c]thiazole-1(3H)-thione
2024 · Rachida Rahmani, Ahmed Djafri, et al. · Journal of Molecular Structure · 10
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-fluoro-ethyl1}-phenyl)-methyl 3-methoxy-acrylic ester
2022 · Salem Yahiaoui, Youcef Megrouss, et al. · Journal of the Indian Chemical Society · 10
Determination of electrostatic parameters of a coumarin derivative compound C17H13NO3by x-ray and density functional theory
2015 · Youcef Megrouss, Nadia Benhalima, et al. · Chinese Physics B · 9
Synthesis, crystal structure, Hirshfeld surface analysis, NCI-RDG, molecular docking, molecular dynamic simulations, and toxicity assessment of 2-((2, 4-dimethoxybenzylidene) hydrazono) -1, 2-diphenylethanone
2024 · Samia Djabbour, Abdelmadjid Benmohammed, et al. · Journal of Molecular Structure · 8
Quantum chemical investigation of spectroscopic, electronic and NLO properties of (1E, 4E)-1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one
2018 · N Benhalima, S Yahiaoui, et al. · International Journal of Advanced Chemistry · 8
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In-depth Hirschfeld Surface Analysis, Interaction Energy, Molecular Docking, and DFT Investigations of Electronic Properties of 2,4-dimethyl-1-nitrobenzene
2024 · Youcef Megrouss, Yahıaouı Salem, et al. · Journal of the Turkish Chemical Society Section A Chemistry · 6
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Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene)thiazolo[3,4-a]benzimidazole-2-thione
2020 · Hafsa Khaldi, Ahmed Djafri, et al. · Acta Crystallographica Section E Crystallographic Communications · 6
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Hirshfeld surface analysis, topological features and nonlinear optical properties of phthalonitrile derivative: low temperature experimental charge density and quantum chemistry studies
2018 · Hafida Benaissi, Mokhtaria Drıssı, et al. · 6
DFT theoretical calculations on (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene) benzohydrazide as a methylene tetrahydrofolatereductase inhibitor: An in silico study, molecular docking, and molecular dynamics simulations
2024 · Fatima Boudjenane, Rachida Rahmani, et al. · Turkish computational and theoretical chemistry/Turkish computational and theoretical chemistry : · 5
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Works count: 59
Citation count: 685
H-index: 12
I10-index: 18
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