Since we intend to review experimental and theoretical studies of physicochemical
processes occurring on cosmic dust grains in very cold regions in space, we start with a brief …

Many gas-phase chemical reactions proceed via reaction intermediates, supported by
potential wells. The characteristics of such complex-forming reactions differ drastically from …

In the search for a full mechanism creating CO 2 from OH+ CO, it has been suggested that
creation of the hydroxyformyl or HOCO radical may be a necessary step. This reaction and …

We study dissociative electron attachment to furan (FN)(C 4 H 4 O)⁠, tetrahydrofuran
(THF)(C 4 H 8 O)⁠, and fructose (FRU)(C 6 H 12 O 6) using crossed electron/molecular …

We report a chemically accurate global potential energy surface for the HOCO system based
on high-level ab initio calculations at∼ 35 000 points. The potential energy surface is shown …

Free radicals are important species in atmospheric chemistry, combustion, plasma
environments, interstellar clouds, and biochemistry. Therefore, researchers would like to …

Ab initio microcanonical rate constants were computed using Semi-Classical Transition
State Theory (SCTST) and used in two master equation formulations (1D, depending on …

The dynamics of chemical reactions are often governed by transient species, including the
transition state for activated bimolecular reactions. Such transient species are difficult to …

The use of accurate quartic force fields together with vibrational configuration interaction
recently predicted gas phase fundamental vibrational frequencies of the trans-HOCO radical …

We report extensive quasi-classical trajectory calculations of the HO+ CO→ H+ CO2
reaction on a newly developed potential energy surface based on a large number of …