The accumulation of proline (Pro) and overproduction of reactive oxygen species (ROS) by
plants exposed to stress is well-documented. In vitro assays show that enzyme inactivation …

CCSD (T)//BHandHLYP/6-311G (d, p) calculations have been performed to study the OH
hydrogen abstraction reaction from C1–C4 aliphatic alcohols. A complex mechanism …

New developments and recent applications of pulsed and miniaturised Laval nozzle
technology allowing many gas‐phase molecular processes to be studied at very low …

The intramolecular additions of C-centered neutral α-aminoalkyl radicals onto suitably
positioned CC double bonds provide a ready access into functionalized carbocycles and …

A time-resolved kinetic study on the hydrogen abstraction reactions from a series of primary
and secondary amines by the cumyloxyl (CumO•) and benzyloxyl (BnO•) radicals was …

Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in
plasma medicine. This paper gives an overview of different atomic/molecular scale …

We report a comprehensive ab initio investigation of the conformers of dehydrogenated
glycine radicals using the STO‐3G, 3‐21G, and aug‐cc‐pVDZ (aVDZ) basis sets and the …

In recent computational studies of hydrogen-atom abstraction from amino acid derivatives,
two distinct rationalizations have been put forward for the relative inertness of the α-C–H. Of …

The reactions of NO3 with formaldehyde, acetaldehyde, propanal, n-butanal, and isobutanal
have been modeled using accurate ab initio and hybrid DFT methods with large basis sets …

The reaction paths of NO3 with methane, ethane, propane, and isobutane have been
modeled using accurate ab initio (MP2) and hybrid DFT (BHandHLYP) methods with large …