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 …

Theoretical chemical kinetics in tropospheric chemistry: methodologies and applications

L Vereecken, DR Glowacki, MJ Pilling - Chemical reviews, 2015 - ACS Publications
Chemical kinetics is central in much of tropospheric chemistry and in modeling tropospheric
chemical processes. Chemical reaction rate coefficients and product yields have traditionally …

Atmospheric fates of Criegee intermediates in the ozonolysis of isoprene

TB Nguyen, GS Tyndall, JD Crounse… - Physical Chemistry …, 2016 - pubs.rsc.org
We use a large laboratory, modeling, and field dataset to investigate the isoprene+ O3
reaction, with the goal of better understanding the fates of the C1 and C4 Criegee …

The reaction of Criegee intermediates with NO, RO 2, and SO 2, and their fate in the atmosphere

L Vereecken, H Harder, A Novelli - Physical Chemistry Chemical …, 2012 - pubs.rsc.org
The reaction of Criegee intermediates (CI) with NO and RO2 radicals is studied for the first
time by theoretical methodologies; additionally, the reaction of CI with SO2 molecules is re …

Particle-phase accretion forms dimer esters in pinene secondary organic aerosol

CM Kenseth, NJ Hafeman, SP Rezgui, J Chen… - Science, 2023 - science.org
Secondary organic aerosol (SOA) is ubiquitous in the atmosphere and plays a pivotal role in
climate, air quality, and health. The production of low-volatility dimeric compounds through …

Evaluated kinetic and photochemical data for atmospheric chemistry: Volume VII–Criegee intermediates

RA Cox, M Ammann, JN Crowley… - Atmospheric …, 2020 - acp.copernicus.org
This article, the seventh in the series, presents kinetic and photochemical data sheets
evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It …

Criegee intermediates: production, detection and reactivity

R Chhantyal-Pun, MAH Khan, CA Taatjes… - … Reviews in Physical …, 2020 - Taylor & Francis
In the context of tropospheric chemistry, Criegee intermediates denote carbonyl oxides with
biradical/zwitterionic character (R1R2COO) that form during the ozonolysis of alkenes. First …

α-Pinene autoxidation products may not have extremely low saturation vapor pressures despite high O: C ratios

T Kurten, K Tiusanen, P Roldin… - The Journal of …, 2016 - ACS Publications
COSMO-RS (conductor-like screening model for real solvents) and three different group-
contribution methods were used to compute saturation (subcooled) liquid vapor pressures …

Computational study of hydrogen shifts and ring-opening mechanisms in α-pinene ozonolysis products

T Kurten, MP Rissanen, K Mackeprang… - The Journal of …, 2015 - ACS Publications
Autoxidation by sequential peroxy radical hydrogen shifts (H-shifts) and O2 additions has
recently emerged as a promising mechanism for the rapid formation of highly oxidized, low …

Estimating the atmospheric concentration of Criegee intermediates and their possible interference in a FAGE-LIF instrument

A Novelli, K Hens, C Tatum Ernest… - Atmospheric …, 2017 - acp.copernicus.org
We analysed the extensive dataset from the HUMPPA-COPEC 2010 and the HOPE 2012
field campaigns in the boreal forest and rural environments of Finland and Germany …