Y. Megrouss

发表

Electron Charge Density Distribution from X-Ray Diffraction Study of the 4-Methoxybenzenecarbothioamide Compound

A. Chouaih, M. Drissi, Y. Megrouss, 2013 .

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

A. Chouaih, Y. Megrouss, Nourdine Boukabcha, 2022, Journal of the Indian Chemical Society.

Determination of electrostatic parameters of a coumarin derivative compound C17H13NO3 by x-ray and density functional theory

A. Chouaih, Y. Megrouss, F. Hamzaoui, 2015 .

Theoretical and Experimental Electrostatic Potential around the m-Nitrophenol Molecule

A. Chouaih, M. Drissi, Y. Megrouss, 2015, Molecules.

Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N'-(2,4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide

A. Chouaih, D. Avcı, Ö. Tamer, 2019, Journal of Molecular Structure.

Quantum chemical investigation of spectroscopic, electronic and NLO properties of (1E, 4E)-1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one

A. Chouaih, Y. Megrouss, F. Hamzaoui, 2018, International Journal of Advanced Chemistry.

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) -4 methylthiazol-2(3H) -ylidene) -2-thioxothiazolidin-4-one: computational and experimental approach

A. Chouaih, J. Daran, A. Djafri, 2022, Journal of Molecular Structure.

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

A. Chouaih, N. Dege, Amani Direm, 2021, Inorganic Chemistry Communications.

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

A. Chouaih, A. Hatzidimitriou, A. Djafri, 2022, Journal of Molecular Structure.

Synthesis, X-Ray Structure Determination and Related Physical Properties of Thiazolidinone Derivative by DFT Quantum Chemical Method.

A. Chouaih, A. Hatzidimitriou, A. Djafri, 2019, Acta chimica Slovenica.

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

A. Chouaih, A. Benmohammed, A. Djafri, 2023, Journal of Molecular Structure.

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

A. Chouaih, J. Daran, A. Djafri, 2020, Journal of Molecular Structure.

Hirshfeld surface analysis, topological features and nonlinear optical properties of phthalonitrile derivative: low temperature experimental charge density and quantum chemistry studies

A. Chouaih, M. Drissi, Y. Megrouss, 2018 .

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

A. Chouaih, A. Djafri, Y. Megrouss, 2023, Journal of Molecular Structure.

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

A. Chouaih, N. Dege, A. Djafri, 2024, Journal of Molecular Structure.

Charge Density Study, DFT Calculations, Hirshfield Surface Analysis and Molecular Docking of (Z)-3-N-(Ethyl)-2-N '-(3-methoxyphenyl imino) thiazolidine-4-one

A. Chouaih, M. Azayez, M. Drissi, 2023, Russian Journal of Physical Chemistry A.