The planet Venus exhibits atmospheric absorption in the 320–400 nm wavelength range
produced by unknown chemistry. We investigate electronic transitions in molecules that may …

The millimeter-wave spectrum of the cis conformer of disulfur dioxide, cis-OSSO, has been
recorded in this study in the ranges 70–120 GHz and 340–500 GHz. Transitions of its …

Disulfur dioxide, OSSO, has been proposed as the enigmatic “near-UV absorber” in the
yellowish atmosphere of Venus. However, the fundamentally important spectroscopic …

The paper presents a study on the combustion of S2 over a wide range of air/fuel ratios,
employing numerical flame calculations, including a sulfur/oxygen reaction mechanism; …

Born–Oppenheimer DFT molecular dynamics (BO-DFT-MD) simulations were performed on
the three lowest energy isomers of S 2 O 2. After a careful calibration of the electronic …

We use accurate ab initio methodologies at the coupled cluster level ((R) CCSD (T)) and its
explicitly correlated version ((R) CCSD (T)-F12) to investigate the electronic structure …

The reaction mechanism of SO 2 with O 3 on the singlet potential energy surface has been
investigated theoretically at the G3MP2B3//B3LYP/6-311+ G (3df) level of theory. The …

The reaction pathways of sulfur tetroxide (SO 4 (C 2v)) with OH radical have been
investigated at the MP2/6-31++ G (d, p) and G3MP2B3 levels. The mechanism I (Transfer of …

The reaction mechanism of disulfur (S 2) and O 3 on the triplet and singlet potential energy
surfaces has been investigated theoretically at the B3LYP/6-311+ G (3df) and G3B3 levels …

Ab initio calculations at the UMP2/cc-pVTZ level were used to determine the stationary
points of fluoroformyloxyl (FCO 2 (C 2V)) with atomic hydrogen reaction on both singlet and …