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 …
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 …
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 …
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
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 …
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 …
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 …
evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It …
Criegee intermediates: production, detection and reactivity
In the context of tropospheric chemistry, Criegee intermediates denote carbonyl oxides with
biradical/zwitterionic character (R1R2COO) that form during the ozonolysis of alkenes. First …
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
COSMO-RS (conductor-like screening model for real solvents) and three different group-
contribution methods were used to compute saturation (subcooled) liquid vapor pressures …
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 …
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 …
field campaigns in the boreal forest and rural environments of Finland and Germany …