Fast photoinduced charge separation (CS) and long-lived charge-separated state (CSS) in
small-molecules facilitate light-energy conversion, while simultaneous attainment of both …

Using the recently developed multistate mapping approach to surface hopping (multistate
MASH) method combined with SA (3)-CASSCF (12, 12)/aug-cc-pVDZ electronic structure …

A common feature of molecular photoswitches is the selectivity of their photo-processes. The
photoswitching model must combine a selective photochemical direct route and a thermal …

The exchange of energy between electronic and nuclear motion is the origin of non-
adiabaticity and plays an important role in many molecular phenomena and processes …

Norbornadiene‐based photoswitches have emerged as promising candidates for
harnessing and storing solar energy, holding great promise as a viable solution to meet the …

The evaluation of the Z/E photoisomerization efficiency is an essential task to design
photoactive molecular devices. Nevertheless, this photoreactivity can be correctly described …

The presence of two chlorine atoms in 1, 2-dichloroethene allows for isomerization around
the double bond. This isomerization can lead to rich photochemistry. We present a time …

Abstract The (6–4) photolesion is a key photodamage that occurs when two adjacent
pyrimidine bases in a DNA strand bond together. To better understand how the absorption of …

The presence of two chlorine atoms in 1, 2-dichloroethene allows for isomerisation around
the double bond. This isomerisation can lead to rich photochemistry. We present a time …

Photoinduced transformations of organic ring molecules play a crucial role in numerous
physical, chemical and biological processes, ranging from biosynthesis of vitamin D to …