Studies on structural, optical, homo-lumo and mechanical properties of piperazinium p-hydroxybenzoate monohydrate single crystal for nonlinear optical applications
G. Parvathy, R. Kaliammal, K. Velsankar, M. Krishna Kumar, K. Sankaranarayanan, S. Sudhahar
Topics & Concepts
Monoclinic crystal systemCrystal (programming language)HydroxybenzoateHOMO/LUMODensity functional theoryCrystallographyChemistrySecond-harmonic generationMaterials scienceSingle crystalCrystal structureIndentation hardnessMoleculeComputational chemistryStereochemistryOpticsOrganic chemistryPhysicsMicrostructureComputer scienceProgramming languageLaserNonlinear Optical Materials ResearchCrystallography and molecular interactionsPhotochemistry and Electron Transfer Studies