A systematic theoretical study of C2 to C6 alkenes reacting with ȮH radical to explore the
kinetics and thermochemistry effects are carried out in this work. The geometries and …

Combustion chemistry of methyl esters with long alkyl chains and different degrees of
unsaturation has been of particular interest for biodiesel combustion. Methyl-3-hexenoate …

As a renewable source of energy, ethanol has been widely used in internal combustion
engines as either a gasoline alternative fuel or a fuel additive. However, as the chemical …

Advanced biofuels have the potential to supplant significant fractions of conventional liquid
fossil fuels. However, the range of potential compounds could be wide depending on …

Reactions with small radicals are of essential significance for alkene oxidation. In this work,
the potential energy surfaces and rate constants of cyclohexene plus H, OH, HO 2 radicals …

The rate coefficients of H abstraction and OH addition reactions of 2, 4, 4-trimethyl-1-
pentene with OH were determined by both canonical variational transition state theory and …

Abstract The kinetics of the 1, 3-butadiene+ ȮH reactions and its impact on combustion
kinetic model predictions have been investigated in this work. Geometries and vibrational …

Alkene with a double bond present in the middle of the molecule is attractive as a
representative of the olefinic group present in the long-chain unsaturated methyl esters …

In this work, the pressure-and temperature-dependent reaction rate constants for the
hydrogen abstraction and addition of hydroxyl radicals to the unsaturated cyclopentene …

The OH-initiated oxidation of vinyl alcohol (VA) produced by phototautomerization of
acetaldehyde is thought to be a source of formic acid (FA) in the atmosphere. A recent …