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
Nourdine Boukabcha, Amani Direm, Mokhtaria Drıssı, Youcef Megrouss, Nawel Khelloul, Necmi Dege, Murat Tuna, Abdelkader Chouaıh
Topics & Concepts
PolarizabilityHyperpolarizabilityDensity functional theoryLattice energyIntermolecular forceChemistryMulliken population analysisHydrogen bondCrystal structureMoleculePhysical chemistryDipoleCrystal (programming language)Single crystalComputational chemistryCrystallographyOrganic chemistryComputer scienceProgramming languageNonlinear Optical Materials ResearchCrystal structures of chemical compoundsSynthesis and biological activity