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Nawel Khelloul

Affiliation : Université de Mostaganem · Université Mustapha Stambouli de Mascara

• 15Publications (affiliation algérienne)
• 23Publications au total
• 329Citations
• 10Indice h

ORCIDOpenAlex

Domaines de recherche

• Crystal structures of chemical compounds
• Crystallography and molecular interactions
• Nonlinear Optical Materials Research
• Crystal Structures and Properties
• Structural and Chemical Analysis of Organic and Inorganic Compounds

Publications (15)

• A thiosemicarbazone derivative as a potential multi-target inhibitor: Molecular docking, DFT, QTAIM, and NLO investigation of thione and thiol tautomers
  2026 · Talanta
• Synthesis, crystal structure, Hirshfeld surface analysis and experimental and theoretical study of new azo compound methyl 2-{2-[( E )-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate
  2025 · Acta Crystallographica Section C Structural Chemistry · cité 3 fois
• Electronic properties and nonlinear optical response of praziquantel hemihydrate and its derivatives: characterization via DFT, AIM, and RDG analysis
  2024 · Journal of Optics · cité 7 fois
• 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 · Journal of Molecular Structure · cité 75 fois
• 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
  2023 · Journal of Molecular Structure · cité 14 fois
• 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
  2022 · Polycyclic aromatic compounds · cité 19 fois
• 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 · Journal of Molecular Structure · cité 19 fois
• 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 · Journal of the Indian Chemical Society · cité 10 fois
• 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
  2022 · Phosphorus, sulfur, and silicon and the related elements · cité 10 fois
• 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
  2021 · Journal of Molecular Structure · cité 107 fois
• 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 · Inorganic Chemistry Communications · cité 12 fois
• FT-IR, 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
  2021 · SSRN Electronic Journal
• 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
  2020 · Heliyon · cité 23 fois
• Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene)thiazolo[3,4-a]benzimidazole-2-thione
  2020 · Acta Crystallographica Section E Crystallographic Communications · cité 5 fois
• Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Thiazolidin-4-one derivative: (Z)-5-(4-Chlorobenzylidene)-3-(2-ethoxyphenyl)-2-thioxothiazolidin-4-one
  2016 · Acta chimica slovenica · cité 25 fois

Revues de publication

• Journal of Molecular Structure × 4
• Talanta × 1
• Acta Crystallographica Section C Structural Chemistry × 1
• Journal of Optics × 1
• Polycyclic aromatic compounds × 1
• Journal of the Indian Chemical Society × 1

Publications par année

• 20261
• 20251
• 20241
• 20232
• 20224
• 20213
• 20202
• 20161

Collaborations

Établissements partenaires : Université Oran 1 Ahmed Ben Bella · Hassiba Benbouali University of Chlef · Centre de Recherche Scientifique et Technique en Analyses Physico-Chimiques · Université de Saida Dr Moulay Tahar · Ahmed Zabana University - Relizane

Co-auteurs

• Abdelkader Chouaıh
• Ayada Djafri
• Nadia Benhalima
• Nourdine Boukabcha
• Ahmed Djafri
• Rachida Rahmani
• Youcef Megrouss
• Nour El Houda Belkafouf
• Khaled Toubal
• Abdelmadjid Benmohammed
• Salem Yahiaoui
• Fatima Yahia Cherif

Données bibliographiques issues d’OpenAlex (base ouverte).