A. Chouaih

发表

K- and Cu-doped CaTiO3-based nanostructured hollow spheres as alternative catalysts to produce fatty acid ethyl esters as potential biodiesel

S. Lanfredi, J. Matos, S. D. da Silva, 2020 .

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

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

Conformational, spectroscopic and nonlinear optical investigations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one: a DFT study

A. Chouaih, D. Avcı, Sümeyye Altürk, 2017 .

Solvent Effects on Molecular Structure, Vibrational Frequencies, and NLO Properties of N-(2,3-Dichlorophenyl)-2-Nitrobenzene–Sulfonamide: a Density Functional Theory Study

A. Chouaih, D. Avcı, Ö. Tamer, 2016 .

Synthesis, molecular and solid state structure of 5-(5-nitro furan-2-ylmethylen), 3-N-(2-methoxy phenyl), 2-N′-(2-methoxyphenyl) imino thiazolidin-4-one: X-ray powder diffraction and DFT studies

A. Chouaih, A. Altomare, R. Rizzi, 2017 .

Crystal and molecular structure of (2Z,5Z)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one

A. Chouaih, J. Daran, A. Djafri, 2017, Acta crystallographica. Section E, Crystallographic communications.

Synthesis and Structural Study of Triphenylbismuth Bis (Salicylate)

A. Chouaih, Abdellah Miloudi, G. Boyer, 2013 .

Structural and electron charge density studies of a nonlinear optical compound 4,4 di-methyl amino cyano biphenyl

A. Chouaih, M. Drissi, F. Hamzaoui, 2013 .

Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2,6-bis(4-fluorophenyl)piperidin-4-one: A potent anti-Alzheimer agent

A. Chouaih, E. Manikandan, Anitha C. Kumar, 2022, Journal of Molecular Structure.

FTIR, NMR and UV–Visible Spectral Investigations, Theoretical Calculations, Topological Analysis, Chemical Stablity, and Molecular Docking Study on Novel Bioactive Compound: The 5-(5-Nitro Furan-2-Ylmethylen), 3-N-(2-Methoxy Phenyl),2-N′- (2-Methoxyphenyl) Imino Thiazolidin-4-One

S. Goumri‐Said, M. Kanoun, A. Chouaih, 2022, Polycyclic Aromatic Compounds.

Molecular Structure, FT-IR, NMR (13C/1H), UV-Vis Spectroscopy and DFT Calculations on (2Z, 5Z)-3-N(4-Methoxy phenyl)-2-N'(4-methoxy phenyl imino)-5-((E)-3-(2-nitrophenyl)allylidene) thiazolidin-4-one

A. Chouaih, A. Krallafa, A. Djafri, 2019, South African Journal of Chemistry.

On the molecular structure, vibrational spectra, HOMO-LUMO, molecular electrostatic potential, UV–Vis, first order hyperpolarizability, and thermodynamic investigations of 3-(4-chlorophenyl)-1-(1yridine-3-yl) prop-2-en-1-one by quantum chemistry calculations

S. Goumri‐Said, A. Chouaih, F. Hamzaoui, 2018 .

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.

2-thioxo -3N-(2-ethoxyphenyl) -5[4′-methyl -3′N-(2′-ethoxyphenyl) thiazol-2′(3′H)-ylidene] thiazolidin-4-one: Growth, spectroscopic behavior, single-crystal investigation, Hirshfeld surface analysis, DFT/TD-DFT computational studies and NLO evaluation

A. Chouaih, Y. Atalay, N. Dege, 2022, Phosphorus, Sulfur, and Silicon and the Related Elements.

A Comparative X-ray Diffraction Study and Ab Initio Calculation on RU60358, a New Pyrethroid

G. Vergoten, P. Lagant, A. Chouaih, 2006 .

Synthesis and Structural Determination of Novel 5-Arylidene-3-N(2-alkyloxyaryl)-2-thioxothiazolidin-4-ones

A. Chouaih, A. Djafri, K. Toubal, 2012, Molecules.

Synthesis, crystal structure, vibrational spectral investigation, intermolecular interactions, chemical reactivity, NLO properties and molecular docking analysis on (E)-N-(4-nitrobenzylidene)-3-chlorobenzenamine: A combined experimental and theoretical study

A. Chouaih, N. Dege, A. Benmohammed, 2021 .

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.

Spectroscopic (FT-IR,1H and 13C NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO)

A. Chouaih, D. Avcı, Sümeyye Altürk, 2017 .

Crystal structure of (2Z,5Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[(E)-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one

A. Chouaih, J. Daran, A. Djafri, 2016, Acta crystallographica. Section E, Crystallographic communications.

Molecular structure investigation of Z-3N(2-ethoxyphenyl)-2-N′(2-ethoxyphenyl)-imino-thiazolidin-4-one by ab initio, DFT and X-ray diffraction methods

A. Chouaih, A. Djafri, G. Chita, 2015, Journal of Structural Chemistry.

Synthesis and Molecular Structure Investigation by DFT and X-Ray Diffraction of ARNO

A. Chouaih, S. Maggi, A. Djafri, 2011 .

Microwave assisted synthesis, vibrational spectra, Hirshfeld surface and interaction energy, DFT, topology, in silico ADMET and molecular docking studies of 1,2-bis(4-methoxybenzylidene)hydrazine

A. Chouaih, Arulraj Ramalingam, Sivakumar Sambandam, 2023, Journal of Molecular Structure.

Synthesis and evaluation of new isatin-aminorhodanine hybrids as PIM1 and CLK1 kinase inhibitors

A. Chouaih, S. Ruchaud, Salima Saidi-Besbes, 2019, Journal of Molecular Structure.

Capability of X-ray diffraction to the determination of the macroscopic linear susceptibility in a crystalline environment: the case of 3-Methyl 4-Nitropyridine N-oxide (POM)

G. Vergoten, A. Chouaih, F. Hamzaoui, 2005 .

Experimental spectral characterization, Hirshfeld surface analysis, DFT/TD-DFT calculations and docking studies of (2Z,5Z)-5-(4-nitrobenzylidene)-3-N(2-methoxyphenyl)-2-N’(2-methoxyphenylimino) thiazolidin-4-one

S. Goumri‐Said, M. Kanoun, A. Chouaih, 2020, Heliyon.

DFT studies of disubstituted diphenyldithiophosphates of nickel(II): Structural and some spectral parameters

A. Chouaih, Rakesh Kumar, M. Kour, 2019, 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.

2-thioxo- 3N-(2-methoxyphenyl) −5 [4′-methyl -3′N -(2′-methoxyphenyl) thiazol-2′(3′H)-ylidene] thiazolidin-4-one: Synthesis, characterization, X-ray single crystal structure investigation and quantum chemical calculations

A. Chouaih, C. Cuocci, A. Moliterni, 2019, Journal of Molecular Structure.

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, PXRD structural determination, Hirshfeld surface analysis and DFT/TD-DFT investigation of 3N-ethyl-2N’-(2-ethylphenylimino) thiazolidin-4-one

A. Chouaih, A. Altomare, R. Rizzi, 2019, 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.

Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin-8-yloxyMethyl)-4H-1,2,4-Triazol-3-yl] Sulfanyl} Acetate

A. Chouaih, A. Djafri, Nourdine Boukabcha, 2022, Polycyclic Aromatic Compounds.

Triflic Acid Functionalized Carbon@Silica Composite: Synthesis and Applications in Organic Synthesis; DFT Studies of Indeno[1,2‐b]indole

A. Chouaih, Sukanya M. Sharma, H. Sharma, 2020 .

Synthesis, crystallographic and spectroscopic investigation, chemical reactivity, hyperpolarizabilities and in silico molecular docking study of (Z)-2N-(tert-butylimino)-3N’-(4-methoxyphenyl) thiazolidin-4-one

A. Chouaih, N. Dege, A. Djafri, 2023, Journal of Molecular Structure.

Synthesis, Structural Characterization and Theoretical NLO Activity of N-(4-Acetyl-5-(4-(Nitro) Phenyl)-4,5-Dihydro-1,3,4-Thiadiazol-2-yl)-N-Phenyl Acetamide

A. Chouaih, N. Dege, A. Benmohammed, 2022, Polycyclic Aromatic Compounds.

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 .

Insight into (Z)-Ethyl-2-(2-((E)-2,4-dinitro benzylidene amino)-4-oxo-3-phenylthiazolidin-5-ylidene) acetate in-silico anti-SARS-CoV-2 performance: Synthesis, structural-spectral characterizations and DFT computations

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

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.

Investigation of photophysical and electronic properties of aurone derivatives: Insights from spectroscopic techniques and density functional theory calculations.

A. Chouaih, J. Al-Fahemi, Saleh A. Ahmed, 2023, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular Structure, Mulliken charges, HOMO-LUMO, Electrostatic Potential and Nonlinear Optical Properties of Zwitterionic 6-methyl-2-oxo-3-[1-(ureidoiminio)ethyl]-2H-pyran-4-olate monohydrate molecule by HF and DFT methods

A. Chouaih, A. Djedouani, E. Elandaloussi, 2018 .