The gas-phase reaction of pyruvic acid (PA) with the OH radical is studied theoretically using
accurate quantum chemistry and transition state theory. Two chemically distinct H-atom …

Gas-phase reactions between pyruvic acid (PA) and HO2 radicals were examined using ab
initio quantum chemistry and transition state theory. The rate coefficients were determined …

The interstellar medium (ISM) is home to several open shell and closed shell molecules
considered to be unusual or highly unstable on Earth. The chemistry of these molecules in …

We report a type of highly efficient double hydrogen atom transfer (DHAT) reaction. The
reactivities of 3‐aminopropanol and 2‐aminoethanol towards Criegee intermediates (syn …

We demonstrate through quantum chemical calculations that the keto‐enol tautomerization
of malonic acid can be catalyzed by the two tautomers of malonic acid itself. This self …

Weak Interactions in Interstellar Chemistry: How do Open Shell Molecules Interact with Closed
Shell Molecules? Page 1 Subscriber access provided by AUBURN UNIV AUBURN is published …

The reaction mechanism of HNCO with HO2 radicals is investigated by means of the
B3PW91/6-311+ G (d, p) method to determine a more reasonable pathway. Four possible …

Abstract Hydroperoxy (HO 2) and hydroxyl (OH) radicals are known to play important roles in
both combustion and atmospheric chemistry. Although less reactive than hydroxyl radicals …