The large library of nonlinear optical (NLO) chromophores based on pyrimidine scaffold is
discussed in this review. Since the first examples described thirteen years ago, the interest …

The application of two-photon absorption (2PA) materials is a classical research field and
has recently attracted increasing interest. It has generated a demand for new dyes with high …

The first hyperpolarizability (β) of representative push–pull π-conjugated compounds has
been calculated at several levels of approximation to assess the effects of electron …

Hyper-Rayleigh scattering (HRS) experiments and quantum chemical calculations are
combined to investigate the second-order nonlinear optical responses of a series of …

A novel simple and efficient stilbazole-based D-π-А system containing cyano and
trifluoromethyl acceptors was designed. The developed system demonstrated pronounced …

We present the design of fluoro derivatives of B10H14 and Li@ B10H14 baskets. A
synergistic effect of conical push and inward pull (reported independently in previous lithium …

Significance: This paper describes the utility of arene–perfluoroarene interactions in the
selfassembly of electro-optic (EO) materials. The authors assess the increase in poling …

Within the spin-unrestricted density functional theory (DFT) the long-range correction (LC)
scheme combined with the Becke–Lee–Yang–Parr exchange-correlation functional, referred …

A class of D− π–A–A type small-molecule donor materials used in heterojunction solar cell
has been designed and investigated by means of quantum chemical calculations. A linear …

Push–pull compounds, in which a proaromatic electron donor is conjugated to a 2‐
dicyanomethylenethiazole acceptor, have been prepared, and their properties compared to …