T. Ratha Jeyalakshmi

Structure–property correlation in a creatininium-based nonlinear optical crystal: experimental and DFT analysis

The nonlinear optical material Creatininium hydrochloride (CTHCl) was successfully synthesized as a single crystal by solvent evaporation at ambient temperature, as confirmed by XRD analysis. To deepen our understanding of the molecule’s intrinsic properties, quantum-chemical cal...