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Nawel Khelloul

Observed names: Khelloul, N., Khelloul, Nawel
ORCID: 0000-0002-2884-8666
Observed ORCID: 0000-0002-2884-8666
OpenAlex ID: A5035010321
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 · Ahlam Roufieda Guerroudj, Nourdine Boukabcha, et al. · Journal of Molecular Structure · 108
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
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 · Nawel Khelloul, Khaled Toubal, et al. · Acta chimica slovenica · 27
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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 · Ahmed Djafri, Fouzia Perveen, et al. · Heliyon · 23
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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 · Rachida Rahmani, Fouzia Perveen, et al. · Polycyclic aromatic compounds · 20
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, 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 · Fatima Zohra Boudjenane, Fayssal Triki-Baara, 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
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
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 · Nawel Khelloul, Khaled Toubal, et al. · Phosphorus, sulfur, and silicon and the related elements · 10
Electronic properties and nonlinear optical response of praziquantel hemihydrate and its derivatives: characterization via DFT, AIM, and RDG analysis
2024 · Nadia Benhalima, Fatima Yahia Cherif, et al. · Journal of Optics · 8
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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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 · Souheyla Chetioui, Nawel Khelloul, et al. · Acta Crystallographica Section C Structural Chemistry · 3
A thiosemicarbazone derivative as a potential multi-target inhibitor: Molecular docking, DFT, QTAIM, and NLO investigation of thione and thiol tautomers
2026 · Nadia Benhalima, Fatima Yahia Cherif, et al. · Talanta
CCDC 1547696: Experimental Crystal Structure Determination
2023 · Boudjenane, Fatima Zohra, Triki-Baara, Fayssal, et al. · The Cambridge Structural Database
CCDC 2181992: Experimental Crystal Structure Determination
2022 · Khelloul, Nawel, Toubal, Khaled, et al. · The Cambridge Structural Database
CCDC 2090426: Experimental Crystal Structure Determination
2022 · Yahiaoui, Salem, Megrouss, Youcef, et al. · The Cambridge Structural Database
CCDC 2143835: Experimental Crystal Structure Determination
2022 · Nekrouf, Asma, Toubal, Khaled, et al. · The Cambridge Structural Database
CCDC 2090679: Experimental Crystal Structure Determination
2021 · Boukabcha, Nourdine, Direm, Amani, et al. · The Cambridge Structural Database
CCDC 2043709: Experimental Crystal Structure Determination
2020 · Khaldi, H., Djafri, A., et al. · The Cambridge Structural Database
The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability Hyperpolarizability, and Homo–Lumo Analysis of Monomeric and Dimeric Structures of 2-Chloro-N-(2 Methylphenyl) Benzamide
2016 · Nawel Khelloul, Nadia Benhalima, et al. · World Academy of Science, Engineering and Technology, International Journal of Chemical and Molecular Engineering
Works count: 22
Citation count: 340
H-index: 10
I10-index: 10
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