Experimental and theoretical investigation on piperazine-1,4-diium bis (2,5-dichlorophenoxyacetate) single crystal: A potential candidate for nonlinear optical applications
Adlin D. Steffy, D. Arul Dhas, I. Hubert Joe, B. Gunasekaran, G. Vinitha
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMOSingle crystalCrystal (programming language)MoleculeDelocalized electronBand gapBasis setCrystallographyMolecular orbitalPiperazineReactivity (psychology)Computational chemistryMolecular physicsMaterials scienceOptoelectronicsOrganic chemistryPathologyMedicineProgramming languageAlternative medicineComputer scienceNonlinear Optical Materials ResearchCrystal structures of chemical compoundsCrystallography and molecular interactions