The chemistry of the atmosphere encompasses a vast number of reactions acting on a
plethora of intermediates. These reactions, occurring sequentially and in parallel, give rise to …

Water has a very significant impact on the processes that occur in the Earth's atmosphere.
Water is one the most abundant resources in our atmosphere and, because of its ability to …

Theory and experiment have built insightful models for gas phase reactions and their
dynamics. However, a high level of complexity is added to this problem by intermolecular …

In this work, we have carried out a systematic study of the antioxidant activity of trans-
resveratrol toward hydroxyl (• OH) and hydroperoxyl (• OOH) radicals in aqueous simulated …

Dopamine is known to be an efficient antioxidant and to protect neurocytes from oxidative
stress by scavenging free radicals. In this work, we have carried out a systematic quantum …

In this paper, for the hydrogen abstraction reaction of HCHO by OH radicals assisted by
water, formic acid, or sulfur acid, the possible reaction mechanisms and kinetics have been …

The effect of a single water molecule on the reaction between H2O2 and HO has been
investigated by employing MP2 and CCSD (T) theoretical approaches in connection with the …

The deposition and hydrolysis reaction of SO2+ H2O in small clusters of sulfuric acid and
water are studied by theoretical calculations of the molecular clusters SO2–(H2SO4) n …

Accurate branching ratios of the H-abstraction reactions from dimethylamine (DMA) by OH
radicals are important in understanding the atmospheric fate of DMA. In this work, the …

The formic acid catalyzed gas‐phase reaction between H2O and SO3 and its reverse
reaction are respectively investigated by means of quantum chemical calculations at the …