The studies of geometrical structures, thermal stabilities, redox properties, nonlinear
responses and optoelectronic properties have been carried out on a series of novel …

Density functional theory calculations have been carried out on the subtriazaporphyrin
skeletons, an excellent prototype for investigating the dipolar/octupolar contribution to the …

Theoretical and experimental methods of characterization have been employed to
investigate a series of six push–pull molecules containing a 4, 5‐dicyanoimidazole acceptor …

There is increasing interest in using natural colorants like anthocyanins in cosmetics, food
and pharmaceuticals as replacements for synthetic colorants. During the maturation of red …

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

The electronic structure and second-order nonlinear optical (NLO) property of a series of
monoruthenium-substituted Keggin-type polyoxometalates (POMs) have been studied by …

Potential NLO-phore materials based on chitosan are described for the first time in this
study. A series of fluorescent and quaternized pyridinium–chitosan derivatives have been …

By using hyper‐Rayleigh scattering experiments and quantum‐chemical calculations, we
demonstrate that nonlinear optics can be used to probe unequivocally, within a non …

Square-planar platinum (II) compounds containing two crown ethers play an important role
in the development of nonlinear optical (NLO) materials, liquid crystals, luminescent …

Redox-switchable second-order nonlinear optical (NLO) responses of a series of ferrocene-
tetrathiafulvalene (Fc–TTF) hybrids have been studied based on density functional theory …