We computationally investigated the molecular aggregation effects on the excited state
deactivation processes by considering both the direct vibrational relaxation and the S0/S1 …

Time-resolved X-ray absorption spectroscopy is emerging as a uniquely powerful tool to
probe coupled electronic-nuclear dynamics in photo-excited molecules. Theoretical studies …

Partial atomic charges are a useful and intuitive concept for understanding molecular
properties and chemical reaction mechanisms, showing how changes in molecular …

Chemical substituents can influence photodynamics by altering the location of critical points
and the topography of the potential energy surfaces (electronic effect) and by selectively …

The aim of this work is to measure the photoluminescence of the Disperse Blue 79 (DB 79)
deposited as thin films and study its morphological properties by the mean of the Atomic …

The photochemical dynamics of double-bond-containing hydrocarbons is exemplified by the
smallest alkenes, ethylene and butadiene. Chemical substituents can alter both decay …

The photochemistry of organic chromophores generally involves the co-evolution of the
electronic and nuclear degrees of freedom. To obtain a specific and predetermined …

Functional group substituents are a ubiquitous tool in ground-state organic chemistry often
employed to fine-tune chemical properties and obtain desired chemical reaction outcomes …

Photochemistry is an important part of both chemistry and biology and is of great practical
significance for the development of sustainable sources of energy. The mechanisms of …

In recent years, squaraine dyes have garnered significant attention for their role in solution-
processed photovoltaics due to their strong absorption in the red and near-infrared (NIR) …