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Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3-methoxybenzylidene)-2-(quinolin-8-yloxy) acetohydrazide

Amar Chebli, Ahmed Djafri, Nourdine Boukabcha, Youcef Megrouss, Mokhtaria Drıssı, Mohammed Hadj Mortada Belhachemi, Salem Yahiaoui, Ahlam Roufieda Guerroudj, Abdelkader Chouaıh, Ayada Djafri

2024Journal of Molecular Structure29 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryHyperpolarizabilityDensity functional theoryMolecular orbitalComputational chemistryPolarizabilityBasis setHOMO/LUMOFukui functionvan der Waals forceIntermolecular forcePhysical chemistryCrystallographyMoleculeOrganic chemistryElectrophileCatalysisNonlinear Optical Materials ResearchSynthesis and biological activityStructural and Chemical Analysis of Organic and Inorganic Compounds
Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3-methoxybenzylidene)-2-(quinolin-8-yloxy) acetohydrazide | Litcius