Nonlinear optics is a mature field characterized by a wealth of phenomena that are well
understood. The microscopic origins of these phenomena are known to be in the quantum …

Positional isomers of “benzothiazoles-pyrazole based azo dyes containing separate with
ESIPT core” are analyzed for their “linear and non-linear optical (NLO)” properties. Dyes are …

The nonlinear optical (NLO) response of three π‐conjugated azobenzene (AB) derivatives
was investigated under picosecond laser excitation by means of the Z‐scan technique to …

The geometrical structures, relative Z–E energies, and second-order nonlinear responses of
a collection of azobenzene molecules symmetrically substituted in the meta-position with …

The present contribution constitutes an extensive density functional theory (DFT)
investigation of the nonlinear optical (NLO) properties of a large number of molecules …

The photophysics, linear and non-linear optical properties of indole based fluorescent styryl
dyes are investigated with density functional theory and time-dependent density functional …

Static excited‐state polarisabilities and hyperpolarisabilities of three RuII ammine
complexes are computed at the density functional theory (DFT) and several correlated ab …

Linear and nonlinear optical (NLO) properties of triphenyl fused rhodamine analogues were
estimated by spectroscopic based mathematical calculations and compared with computed …

The functionality of the proton-coupled electron transfer (PCET) model was tested on a
squaraine-sensitized solar cell. The geometrical parameters, excitations, and electronic …

We report four azo dyes and their positional isomers having a benzothiazole-pyridone core.
Selected heterocyclic emissive azo dyes in this work are analysed for their non-linear optical …