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
Nourdine Boukabcha, Abdelmadjid Benmohammed, Mohammed Hadj Mortada Belhachemi, Meriem Goudjil, Salem Yahiaoui, Youcef Megrouss, Ahmed Djafri, Nawel Khelloul, Zohra Douaa Benyahlou, Ayada Djafri, Abdelkader Chouaıh
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMOChemical shiftvan der Waals forceMoleculeIntermolecular forceDensity functional theoryComputational chemistryBasis setSteric effectsHydrogen bondReactivity (psychology)Atoms in moleculesPhysical chemistryChemical physicsStereochemistryOrganic chemistryMedicineAlternative medicinePathologySynthesis and biological activityNonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic Compounds