Mechanistic and kinetics studies of the gas phase reactions of dimethyl sulfone (DMS (O) 2;
CH 3 S (O) 2 CH 3) mediated by hydroxyl radical (radical dotOH), chlorine atom (radical …

The reaction mechanism for chlorine radical (• Cl)-initiated atmospheric oxidation of dipropyl
thiosulfinate (DPTS) in the gas phase was investigated using ab initio/density functional …

The thermochemistry and kinetics of the atmospheric oxidation mechanism for
propanesulfinyl chloride (CH3–CH2–CH2–S (═ O) Cl; PSICl) initiated by the hydroxyl (OH) …

Quantum chemical calculations on the gas-phase H-abstraction reactions of CH 2 FCH 2 OH
with OH radical were performed using the CCSD (T)//M06-2X/Aug-cc-pVTZ method. The rate …

Isoamyl acetate is one of the volatile organic compound class molecules relevant to
agricultural and industrial applications. With the growing interest in isoamyl acetate …

We performed extensive theoretical calculations to study the mechanisms, thermochemistry,
and kinetics of hydrogen abstraction reactions of CF3CF2C (O) OCH3 and CHF2CF2C (O) …

3-Methyl-2-butene-1-thiol ((CH3) 2C═ CH–CH2–SH; MBT) is a recently identified volatile
organosulfur compound emitted from Cannabis sativa and is purported to contribute to its …

Theoretical studies have been performed on the kinetics, mechanism and thermochemistry
of the hydrogen abstraction reactions of CF 3 CF 2 OCH 3 (HFE-245mc) and CF 3 CF 2 …

HFO-1345fz (CF3CF2CH CH2 or 3, 3, 4, 4, 4-pentafluoro-1-butene) belongs to a class of
hydrofluoro-olefins and represents a new generation of potential foam expansion agents. Its …

Repurposing of existing drugs toward new therapeutic use (s) has become an emergent
area of research in current times. In this context, the antioxidant behavior of eight cholinergic …