Methylenimine (CH2NH) has been predicted to be a product of the atmospheric photo-
oxidation of methylamine, but its atmospheric reactions have not been measured. In this …

The objective of this work is to present a unified collection of structural and chemical
information on a series of neutral chemical tri-elemental species up to a molecular formula C …

The reaction of OH radicals with ethylene (CH 2 CH 2) and formaldehyde (CH 2 O)
molecules with and without water have been investigated using ab initio/DFT potential …

The C2H2+ OH reaction is an important acetylene oxidation pathway in the combustion
process, as well as a typical multi-well and multi-channel reaction. Here, we report an …

For reactive gas-phase environments, including combustion, extraterrestrials atmospheres
and our Earth's atmosphere, the availability of quality chemical data is essential for …

The mechanism, thermochemistry and kinetics of the addition and hydrogen-atom
abstraction reactions of the methyl radical with formaldehyde and hydroxymethylene were …

We developed a machine learning model for fast estimating reaction energy barriers. The
model was trained on data for 11,730 elementary reactions and barriers computed with an …

Abstract CH and C 2 H 5 OH are important species in the combustion system. The reaction
mechanism between CH and C 2 H 5 OH was elucidated at the CCSD (T)//BHandHLYP/6 …

CH and C2H5OH are important species in the combustion system. The reaction mechanism
between CH and C2H5OH is elucidated at the CCSD (T)//BHandHLYP/6-311+ G (3df, 2p) …

Lockyear et al. 1 recently studied the reaction of CH (X2Π) radicals with acrolein using
photoionization mass-spectroscopy, identifying and quantifying the products of this reaction …