Search Results - Khelloul, Nawel

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  1. 1
    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

    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-methox... by Djafri, Ahmed, Perveen, Fouzia, Benhalima, Nadia, Khelloul, Nawel, Rahmani, Rachida, Djafri, Ayada, Chouaih, Abdelkader, Kanoun, Mohammed Benali, Goumri-Said, Souraya

    Published in Heliyon
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  2. 2
    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

    Synthesis, crystal structure, vibrational spectral investigation, intermolecular interactions, chemical reactivity, NLO properties and molecular docking analysis on (E)-N-(4-nitrob... by Guerroudj, Ahlam Roufieda, Boukabcha, Nourdine, Benmohammed, Abdelmadjid, Dege, Necmi, Belkafouf, Nour El Houda, Khelloul, Nawel, Djafri, Ayada, Chouaih, Abdelkader

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  3. 3
    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

    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 by Boukabcha, Nourdine, Benmohammed, Abdelmadjid, Belhachemi, Mohammed Hadj Mortada, Goudjil, Meriem, Yahiaoui, Salem, Megrouss, Youcef, Djafri, Ahmed, Khelloul, Nawel, Benyehlou, Zohra Douaa, Djafri, Ayada, Chouaih, Abdelkader

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  4. 4
    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

    Synthesis, structural determination, Hirshfeld surface analysis, 3D energy frameworks, electronic and (static, dynamic) NLO properties of o-Nitroacetanilide (o-NAA): A combined exp... by Boukabcha, Nourdine, Direm, Amani, Drissi, Mokhtaria, Megrouss, Youcef, Khelloul, Nawel, Dege, Necmi, Tuna, Murat, Chouaih, Abdelkader

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  5. 5
    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

    Synthesis, crystallographic and spectroscopic investigation, chemical reactivity, hyperpolarizabilities and in silico molecular docking study of (Z)-2N-(tert‑butylimino)-3N’-(4-met... by Boudjenane, Fatima Zohra, Triki-Baara, Fayssal, Boukabcha, Nourdine, Belkafouf, Nour El Houda, Dege, Necmi, Saidj, Merzouk, Khelloul, Nawel, Djafri, Ayada, Chouaih, Abdelkader

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  6. 6
    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

    Synthesis, structural, spectroscopic, intermolecular interactions, kinetic stability, charge transfer method with DNA bases and electronic properties of (E)-3-(2-ethoxyphenyl)-5-(3... by Nekrouf, Asma, Toubal, Khaled, Megrouss, Youcef, Belkafouf, Nour El Houda, Djafri, Ahmed, Khelloul, Nawel, Daran, Jean-Claude, Djafri, Ayada, Chouaih, Abdelkader

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  7. 7
    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

    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, Hirshfel... by Khelloul, Nawel, Toubal, Khaled, Boukabcha, Nourdine, Dege, Necmi, Djafri, Ahmed, Belkafouf, Nour El Houda, Benhalima, Nadia, Djafri, Ayada, Chouaih, Abdelkader, Atalay, Yusuf

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  8. 8
    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

    FTIR, NMR and UV-Visible Spectral Investigations, Theoretical Calculations, Topological Analysis, Chemical Stablity, and Molecular Docking Study on Novel Bioactive Compound: The 5-... by Rahmani, Rachida, Perveen, Fouzia, Benhalima, Nadia, Djafri, Ahmed, Khelloul, Nawel, Chouaih, Abdelkader, Djafri, Ayada, Kanoun, Mohammed Benali, Goumri-Said, Souraya

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  9. 9
    Electronic properties and nonlinear optical response of praziquantel hemihydrate and its derivatives: characterization via DFT, AIM, and RDG analysis

    Electronic properties and nonlinear optical response of praziquantel hemihydrate and its derivatives: characterization via DFT, AIM, and RDG analysis by Benhalima, Nadia, Yahia Cherif, Fatima, Doumi, Bendouma, Khelloul, Nawel, Kourat, Oumria, Chouaih, Abdelkader, Sayede, Adlane

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  10. 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

    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-eth... by Yahiaoui, Salem, Megrouss, Youcef, Boukabcha, Nourdine, El Houda Belkafouf, Nour, Khelloul, Nawel, Rahmani, Rachida, Boubegra, Naima, Chouaih, Abdelkader

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  11. 11
    Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene)thiazolo[3,4- a ]benzimidazole-2-thione

    Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene)thiazolo[3,4- a ]benzimidazole-2-thione by Khaldi, Hafsa, Djafri, Ahmed, Megrouss, Youcef, Khelloul, Nawel, Chouaih, Abdelkader, Djafri, Ayada

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  12. 12
    Mol-ecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-yl-methyl-idene)thia-zolo[3,4- a ]benzimidazole-2-thione

    Mol-ecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-yl-methyl-idene)thia-zolo[3,4- a ]benzimidazole-2-thione by Khaldi, Hafsa, Djafri, Ahmed, Megrouss, Youcef, Khelloul, Nawel, Chouaih, Abdelkader, Djafri, Ayada

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