Synthesis, growth and computational studies on vanillin nicotinamide single crystals
M. Buvaneswari, R. Santhakumari, Ramapurath S. Jayasree, Suresh Sagadevan
Topics & Concepts
Natural bond orbitalHOMO/LUMOBasis setChemistryDensity functional theoryCrystal (programming language)CrystallographySingle crystalThermogravimetric analysisMolecular geometryMolecular orbitalBand gapThermal stabilityCrystal structureNicotinamidePhysical chemistryComputational chemistryAnalytical Chemistry (journal)MoleculeMaterials scienceOrganic chemistryOptoelectronicsComputer scienceEnzymeProgramming languageNonlinear Optical Materials ResearchCrystallography and molecular interactionsCrystallization and Solubility Studies