Mercury is a contaminant of global concern that is transported throughout the atmosphere as
elemental mercury Hg0 and its oxidized forms HgI and HgII. The efficient gas‐phase …

Ultrafast processes initiated in molecules by light or collision are extremely widespread. The
intrinsic timescale of nuclear motion is the femtosecond (1 fs= 10-15 s) and the one of …

Hydroxysulfinyl radical (HOSO) is important due to its involvement in climate
geoengineering upon SO2 injection and generation of the highly hygroscopic H2SO4. Its …

Polysulfur species have been proposed to be the unknown near-UV absorber in the
atmosphere of Venus. Recent work argues that photolysis of one of the (SO) 2 isomers, cis …

The controlled deformation and engineering of the sp 2 carbon network in atomically-precise
nanographenes, and their substantially larger size as compared to typical optical dyes …

Nanographenes (NGs) have been attracting widespread interest since they combine
peculiar properties of graphene with molecular features, such as bright visible …

Deep learning (DL) is applied to simulate non-adiabatic molecular dynamics of
phenanthrene, using the time-dependent density functional based tight binding (TD-DFTB) …

We investigated the anti-Kasha photochemistry and anti-Kasha emission of d8-metal donor–
acceptor dithiolene with femtosecond UV–vis transient absorption spectroscopy and …

The use of phosphorescent luminophores is highly beneficial in diverse high-technological
and biological applications. Yet, because of the formally forbidden character of intersystem …

Quantifying vibronic couplings in molecular excited states is crucial for the elucidation of a
broad range of photophysical phenomena. In this study, we compare different theoretical …