Physicochemical and quantum chemical calculations on new bis (2-amino-6-methylpyridinium 3,4–dimethoxybenzoate) dihydrate organic single crystal for third order nonlinear optical applications
R. Kaliammal, G. Parvathy, R Mohan Kumar, M. Krishna Kumar, G Vinitha, S. Sudhahar
Topics & Concepts
HyperpolarizabilityMonoclinic crystal systemSingle crystalMaterials scienceCrystal (programming language)Density functional theoryCrystallographyNatural bond orbitalCrystal structureAnalytical Chemistry (journal)ChemistryComputational chemistryMoleculeOrganic chemistryPolarizabilityProgramming languageComputer scienceNonlinear Optical Materials ResearchCrystal structures of chemical compoundsNonlinear Optical Materials Studies