Characterizing the photochemical reactivity of transient volatile organic compounds (VOCs)
in our atmosphere begins with a proper understanding of their abilities to absorb sunlight …

We report the first helium-tagged electronic spectra of cationic adamantane clusters, along
with its singly, doubly, and triply dehydrogenated analogues embedded in helium droplets …

We have calculated the absorption spectrum of dichlorine peroxide (ClOOCl) in the spectral
range 250–400 nm. We have employed five different approaches to quantitatively model the …

Hydrated singly charged magnesium ions Mg+(H 2 O) n, n≤ 5, in the gas phase are ideal
model systems to study photochemical hydrogen evolution since atomic hydrogen is formed …

We present simulated electronic absorption spectra of isolated and solvated nitrate anion in
the UV region, focusing primarily on the absorption into the first absorption band around 300 …

For the excitation to a repulsive state of a diatomic molecule, one expects a single broad
peak in the photodissociation spectrum. For Zn2+, however, two peaks for the spin-and …

Glyoxylic acid is formed in the troposphere by oxidation of organic molecules. In sea salt
aerosols, it is expected to be present as glyoxylate, integrated into the salt environment and …

We present a computational protocol for modeling valence photoemission spectra of liquids.
We use water as an experimentally well-characterized model system, and we represent its …

We have performed large-scale simulations of UV absorption spectra of water clusters
(monomer to octamer) using a combination of ab initio path-integral molecular dynamics …

Hydrated singly charged magnesium ions [Mg (H2O) n]+ are thought to consist of an Mg2+
ion and a hydrated electron for n> 15. This idea is based on mass spectra, which exhibit a …