The applications of multiscale quantum–classical (QM–MM) approaches have shown an
extraordinary expansion and diversification in the last couple of decades. A great proportion …

Merocyanines, thanks to their easily adjustable electronic structure, appear to be the most
versatile and promising functional dyes. Their D–π–A framework offers ample opportunities …

The solvatochromicity of established solvatochromic UV/Vis probes, which appear to be
sensitive to the so‐called hydrogen bond donor (HBD) property of the solvent, is analysed …

A vinylogous series of highly dipolar merocyanines were designed to study their
solvatochromism in a wide range of solvents including low-polarity alkanes. It has been …

We present a combination of the polarizable embedding (PE) method with the resolution-of-
the-identity implementation of the approximate coupled-cluster singles and doubles method …

The polarizable embedding (PE) approach, which combines quantum mechanics (QM) and
molecular mechanics (MM), is applied to predict solvatochromic effects on excitation …

Merocyanines, owing to their readily tunable electronic structure, are arguably the most
versatile functional dyes, with ample opportunities for tailored design via variations of both …

Four organometallic dyes with ferrocene as the electron donor group and pyridinium or
quinolinium acceptor groups were synthesized and their spectral behavior was recorded in …

Brooker's merocyanine (BM) is a classic solvatochromic probe, which exhibits a band in the
visible region sensitive to changes in the polarity of the medium. BM shows a reversion in its …

Four 4-[[(4-nitrophenyl) methylene] imino] phenols (2a–d) were synthesized. After
deprotonation in solution, they formed the solvatochromic phenolates 3a–d, which revealed …