Structural, spectroscopic, quantum chemical, and molecular docking investigation of (E)-N'-(2,5-dimethoxybenzylidene)picolinohydrazide
E. Kavitha, D. Ramarajan, Aleksandra Rakić, Dušan Dimić, S. Sudha, Putta Narasimhan Nirmala
Topics & Concepts
ChemistryNatural bond orbitalRaman spectroscopyBasis setHyperpolarizabilityMoleculeMolecular geometryComputational chemistryHOMO/LUMOChemical shiftCarbon-13 NMRPhysical chemistryCrystal structureAnalytical Chemistry (journal)CrystallographyDensity functional theoryStereochemistryOrganic chemistryOpticsPhysicsPolarizabilityNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesSynthesis and biological activity