Laboratory studies of organic peroxy radical chemistry: an overview with emphasis on recent issues of atmospheric significance

JJ Orlando, GS Tyndall - Chemical Society Reviews, 2012 - pubs.rsc.org
Organic peroxy radicals (often abbreviated RO2) play a central role in the chemistry of the
Earth's lower atmosphere. Formed in the atmospheric oxidation of essentially every organic …

Kinetics of elementary reactions in low-temperature autoignition chemistry

J Zádor, CA Taatjes, RX Fernandes - Progress in energy and combustion …, 2011 - Elsevier
Advanced low-temperature combustion concepts that rely on compression ignition have
placed new technological demands on the modeling of low-temperature oxidation in general …

Theoretical studies of atmospheric reaction mechanisms in the troposphere

L Vereecken, JS Francisco - Chemical Society Reviews, 2012 - pubs.rsc.org
The chemistry of the atmosphere encompasses a vast number of reactions acting on a
plethora of intermediates. These reactions, occurring sequentially and in parallel, give rise to …

HO x radical regeneration in the oxidation of isoprene

J Peeters, TL Nguyen, L Vereecken - Physical Chemistry Chemical …, 2009 - pubs.rsc.org
We propose, and quantify from first principles, two novel HOx-regenerating unimolecular
reactions in isoprene oxidation, which are estimated to yield in pristine tropical forest …

Hydroxyl radical recycling in isoprene oxidation driven by hydrogen bonding and hydrogen tunneling: The upgraded LIM1 mechanism

J Peeters, JF Müller, T Stavrakou… - The Journal of Physical …, 2014 - ACS Publications
The Leuven isoprene mechanism, proposed earlier to aid in rationalizing the unexpectedly
high hydroxyl radical (OH) concentrations in isoprene-rich, low-nitric-oxide (NO) regions …

Isoprene photooxidation: new insights into the production of acids and organic nitrates

F Paulot, JD Crounse, HG Kjaergaard… - Atmospheric …, 2009 - acp.copernicus.org
We describe a nearly explicit chemical mechanism for isoprene photooxidation guided by
chamber studies that include time-resolved observation of an extensive suite of volatile …

Importance of secondary sources in the atmospheric budgets of formic and acetic acids

F Paulot, D Wunch, JD Crounse… - Atmospheric …, 2011 - acp.copernicus.org
We present a detailed budget of formic and acetic acids, two of the most abundant trace
gases in the atmosphere. Our bottom-up estimate of the global source of formic and acetic …

Combustion chemistry of alkenes and alkadienes

CW Zhou, A Farooq, L Yang, AM Mebel - Progress in Energy and …, 2022 - Elsevier
Alkenes formed, during the refining of crude oil, by cracking the heavier fractions are present
in transportation fuels in significant amounts, up to as much as 15–20% in gasoline …

Quantitative Kinetics of HO2 Reactions with Aldehydes in the Atmosphere: High-Order Dynamic Correlation, Anharmonicity, and Falloff Effects Are All Important

B Long, Y Xia, DG Truhlar - Journal of the American Chemical …, 2022 - ACS Publications
Kinetics provides the fundamental parameters for elucidating sources and sinks of key
atmospheric species and for atmospheric modeling more generally. Obtaining quantitative …

[HTML][HTML] H migration in peroxy radicals under atmospheric conditions

L Vereecken, B Nozière - Atmospheric chemistry and physics, 2020 - acp.copernicus.org
A large data set of rate coefficients for H migration in peroxy radicals is presented and
supplemented with literature data to derive a structure–activity relationship (SAR) for the title …