We calculated the nonlinear optical properties of 24 azo-enaminone derivatives,
incorporating solvent effects on their geometric and electronic structure, to assess the impact …

In this paper, we have designed a series of isoindigo-dithiophenepyrrole based oligomers
with donor-acceptor architecture. The donor and acceptor units are joined by a thiophene …

The present paper elicits a very useful, computational exploration of molecular
architectonics of benzothiazole scaffold. The investigation elucidates hop** transport …

We investigate the effects of solvents on the geometry, absorption spectrum, and first
hyperpolarizability of six push–pull molecules, each containing a 4, 5-dicyanoimidazole …

Reorganization energy (λ) is one of the most important parameters regarding the charge
transfer in organic semiconductors. In this context, the λ of a series of five-ring-fused …

A theoretical analysis of a series of imidazole-based Y-shaped chromophores, D1–D8, is
performed in order to investigate their non (linear) optical, fluorescence, and charge …

Organic semiconductors (OSCs), being light in weight, decomposable, cheap, and flexible,
can be an excellent replacement for inorganic semiconductors. Reorganization energy (RE) …

Abstract Organic Field Effect Transistors have been widely researched since the first
reported OFET in 1986 which was made of Polythiophene. The designed two molecular …

Esta tese de doutorado dedicou-se ao estudo e melhoria na descrição de propriedades
óticas-não lineares (ONL) em moléculas orgânicas atuando como protótipos para …