Screening the nonlinear optical properties of reference esters
In this investigation we report results on the linear and nonlinear optical properties such as the dipole moment, polarizability, total first hyperpolarizability βtot, electric field-induced second harmonic generation β//, hyper-Rayleigh scattering first hyperpolarizability βHRS.
Analyzing Structure–Nonlinear Optical Relationships in Phenols
The linear optical properties, nonlinear optical properties, and reactivity of various phenols were studied, calculated, and analyzed in detail using quantum chemical calculations.