Synthesis, crystal structure, Hirshfeld surface, DFT calculations, Z-scan and nonlinear optical studies of novel flourinated hexahydropyrimidine
G. Kavitha, A. Dhandapani, B. Gunasekaran, M. Suresh
Topics & Concepts
ChemistryHyperpolarizabilityDensity functional theoryMonoclinic crystal systemNatural bond orbitalCrystallographyCrystal structureHydrogen bondMoleculeTime-dependent density functional theorySingle crystalCrystal (programming language)Basis setComputational chemistryComputer scienceOrganic chemistryPolarizabilityProgramming languageSynthesis and biological activityNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic Compounds