Synthesis, growth, structural, spectroscopic, optical, thermal, DFT, HOMO–LUMO, MEP, NBO analysis and thermodynamic properties of vanillin isonicotinic hydrazide single crystal
M. Buvaneswari, R. Santhakumari, C. Usha, Ramapurath S. Jayasree, Suresh Sagadevan
Topics & Concepts
ChemistryHOMO/LUMONatural bond orbitalDensity functional theorySingle crystalCrystallographyHyperpolarizabilityPolarizabilityPhysical chemistryCrystal (programming language)Thermogravimetric analysisComputational chemistryMoleculeOrganic chemistryComputer scienceProgramming languageNonlinear Optical Materials ResearchCrystallography and molecular interactionsCrystallization and Solubility Studies