A new organic compound (C9H12N2O2): Crystal structure, characterization, Hirshfeld surface analysis, electronic properties, NLO properties, DFT calculation and molecular docking
P. Jayaprakash, S. Selvaraj, A. Ram Kumar
Topics & Concepts
HyperpolarizabilityBand gapChemistrySolvatochromismChromophoreCrystal (programming language)HOMO/LUMOAbsorption spectroscopySecond-harmonic generationDensity functional theorySingle crystalCrystal structurePhysical chemistrySolventChemical physicsMoleculeCrystallographyAnalytical Chemistry (journal)Materials scienceComputational chemistryOpticsPhotochemistryOrganic chemistryOptoelectronicsProgramming languageLaserPolarizabilityPhysicsComputer scienceNonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic CompoundsSynthesis and biological activity