Molecular systems encompassing more than one photochromic entity can be used to build
highly functional materials, thanks to their potential multi-addressability and/or multi …

In this perspective, we present an overview of the determination of excited-state properties of
“real-life” dyes, and notably of their optical absorption and emission spectra, performed …

Abstract The 2, 2′-dinaphtholazobenzene molecular framework (P) was designed,
synthesized and characterized. Its absorption and fluorescence properties revealed that P is …

Designing highly efficient hole-transporting materials (HTMs) has recently become one of
the effective approaches to increasing the power conversion efficiencies (PCEs) of …

The field of chemosensing has been experiencing an exponential expansion in recent times,
due to increased demands for simpler and user-friendly analytical techniques, in order to …

Dimers of dithienylethenes containing a metallic center in their bridging unit often exhibit a
full and stepwise photochromism, and their photoactivity typically surpasses the majority of …

A molecule consisting of one dithienylethene covalently linked to two fulgimide
photochromes has been designed as a 4-to-2 encoder. The combined molecule has four …

Abstract Density Functional Theory (DFT) and Time Dependent-Density Functional Theory
(TD-DFT) were used to simulate the electronic and absorbance properties of mono-and di …

In this chapter, we provide a review of theoretical works performed with first-principle
approaches focusing on the understanding, rationalization, and improvement of …

Density functional theory and time‐dependent density functional theory were employed to
theoretically analyze the effect of different substituents on the spectroscopic properties of …