Rapid unimolecular reaction of stabilized Criegee intermediates and implications for atmospheric chemistry

Secondary Organic Aerosol Formation From Aromatic Alkene Ozonolysis: Influence of the Precursor Structure on Yield, Chemical Composition and Mechanism

(2019) Laura Chiappini et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Insight into Chemistry on Cloud/Aerosol Water Surfaces

(2018) Jie Zhong et al.   ACCOUNTS OF CHEMICAL RESEARCH

Unimolecular Decay of Criegee Intermediates to OH Radical Products: Prompt and Thermal Decay Processes

(2018) Marsha I. Lester et al.   ACCOUNTS OF CHEMICAL RESEARCH

Mechanism of Gas-Phase Ozonolysis of β-Myrcene in the Atmosphere

(2018) Peng Deng et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications

(2018) M. Monge-Palacios et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Unimolecular reaction of acetone oxide and its reaction with water in the atmosphere

(2018) Bo Long et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Criegee intermediates and their impacts on the troposphere

(2018) M. A. H. Khan et al.   Environmental Science-Processes & Impacts

Kinetics of the Strongly Correlated CH3O + O2 Reaction: The Importance of Quadruple Excitations in Atmospheric and Combustion Chemistry

(2018) Bo Long et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unimolecular Decay of the Dimethyl-Substituted Criegee Intermediate in Alkene Ozonolysis: Decay Time Scales and the Importance of Tunneling

(2017) Greg T. Drozd et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Unimolecular decay strongly limits the atmospheric impact of Criegee intermediates

(2017) L. Vereecken et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

How does substitution affect the unimolecular reaction rates of Criegee intermediates?

(2017) Cangtao Yin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Selective deuteration illuminates the importance of tunneling in the unimolecular decay of Criegee intermediates to hydroxyl radical products

(2017) Amy M. Green et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A modeling study of secondary organic aerosol formation from sesquiterpenes using the STOCHEM global chemistry and transport model

(2017) M. A. H. Khan et al.   JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES

MN15-L: A New Local Exchange-Correlation Functional for Kohn–Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids

(2016) Haoyu S. Yu et al.   Journal of Chemical Theory and Computation

Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory

(2016) Junwei Lucas Bao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atmospheric Chemistry of Criegee Intermediates: Unimolecular Reactions and Reactions with Water

(2016) Bo Long et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The role of low-volatility organic compounds in initial particle growth in the atmosphere

(2016) Jasmin Tröstl et al.   NATURE

Unimolecular dissociation dynamics of vibrationally activated CH3CHOO Criegee intermediates to OH radical products

(2016) Nathanael M. Kidwell et al.   Nature Chemistry

Atmospheric photochemistry at a fatty acid-coated air-water interface

(2016) S. Rossignol et al.   SCIENCE

New particle formation in the free troposphere: A question of chemistry and timing

(2016) F. Bianchi et al.   SCIENCE

Theoretical Chemical Kinetics in Tropospheric Chemistry: Methodologies and Applications

(2015) Luc Vereecken et al.   CHEMICAL REVIEWS

The physical chemistry of Criegee intermediates in the gas phase

(2015) David L. Osborn et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Perspective: Spectroscopy and kinetics of small gaseous Criegee intermediates

(2015) Yuan-Pern Lee   JOURNAL OF CHEMICAL PHYSICS

W2X and W3X-L: Cost-Effective Approximations to W2 and W4 with kJ mol–1 Accuracy

(2015) Bun Chan et al.   Journal of Chemical Theory and Computation

Kinetics of stabilised Criegee intermediates derived from alkene ozonolysis: reactions with SO2, H2O and decomposition under boundary layer conditions

(2015) Mike J. Newland et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetics of the unimolecular reaction of CH2OO and the bimolecular reactions with the water monomer, acetaldehyde and acetone under atmospheric conditions

(2015) Torsten Berndt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A kinetic study of the CH2OO Criegee intermediate self-reaction, reaction with SO2 and unimolecular reaction using cavity ring-down spectroscopy

(2015) Rabi Chhantyal-Pun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct kinetic measurement of the reaction of the simplest Criegee intermediate with water vapor

(2015) W. Chao et al.   SCIENCE

Multi-path variational transition state theory for chiral molecules: the site-dependent kinetics for abstraction of hydrogen from 2-butanol by hydroperoxyl radical, analysis of hydrogen bonding in the transition state, and dramatic temperature dependence of the activation energy

(2015) Junwei Lucas Bao et al.   Chemical Science

Rate Coefficients of C1 and C2 Criegee Intermediate Reactions with Formic and Acetic Acid Near the Collision Limit: Direct Kinetics Measurements and Atmospheric Implications

(2014) Oliver Welz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rapid Autoxidation Forms Highly Oxidized RO2Radicals in the Atmosphere

(2014) Tuija Jokinen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Formation of Highly Oxidized Multifunctional Products in the Ozonolysis of Cyclohexene

(2014) Matti P. Rissanen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Extremely rapid self-reaction of the simplest Criegee intermediate CH2OO and its implications in atmospheric chemistry

(2014) Yu-Te Su et al.   Nature Chemistry

The reactions of Criegee intermediates with alkenes, ozone, and carbonyl oxides

(2014) L. Vereecken et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Infrared-driven unimolecular reaction of CH3CHOO Criegee intermediates to OH radical products

(2014) F. Liu et al.   SCIENCE

Quantum Thermochemistry: Multistructural Method with Torsional Anharmonicity Based on a Coupled Torsional Potential

(2013) Jingjing Zheng et al.   Journal of Chemical Theory and Computation

Chemical Kinetics and Mechanisms of Complex Systems: A Perspective on Recent Theoretical Advances

(2013) Stephen J. Klippenstein et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Infrared Absorption Spectrum of the Simplest Criegee Intermediate CH2OO

(2013) Y.-T. Su et al.   SCIENCE

Direct Measurements of Conformer-Dependent Reactivity of the Criegee Intermediate CH3CHOO

(2013) C. A. Taatjes et al.   SCIENCE

Theoretical studies of atmospheric reaction mechanisms in the troposphere

(2012) Luc Vereecken et al.   CHEMICAL SOCIETY REVIEWS

MESMER: An Open-Source Master Equation Solver for Multi-Energy Well Reactions

(2012) David R. Glowacki et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ultraviolet Spectrum and Photochemistry of the Simplest Criegee Intermediate CH2OO

(2012) Joseph M. Beames et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A new atmospherically relevant oxidant of sulphur dioxide

(2012) R. L. Mauldin III et al.   NATURE

Multi-structural variational transition state theory. Kinetics of the 1,4-hydrogen shift isomerization of the pentyl radical with torsional anharmonicity

(2011) Tao Yu et al.   Chemical Science

Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries

(2010) I. M. Alecu et al.   Journal of Chemical Theory and Computation

Computational Studies of the Isomerization and Hydration Reactions of Acetaldehyde Oxide and Methyl Vinyl Carbonyl Oxide

(2010) Keith T. Kuwata et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum chemical and RRKM/master equation studies of cyclopropene ozonolysis

(2010) Keith T. Kuwata et al.   Computational and Theoretical Chemistry

The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights

(2009) Jingjing Zheng et al.   Journal of Chemical Theory and Computation

Theoretical study on the detailed reaction mechanisms of carbonyl oxide with formic acid

(2009) Bo Long et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

The gas-phase ozonolysis of β-caryophyllene (C15H24). Part II: A theoretical study

(2009) T. L. Nguyen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The gas-phase ozonolysis of unsaturated volatile organic compounds in the troposphere

(2008) David Johnson et al.   CHEMICAL SOCIETY REVIEWS

Direct Observation of the Gas-Phase Criegee Intermediate (CH2OO)

(2008) Craig A. Taatjes et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum chemical and RRKM/master equation studies of isoprene ozonolysis: Methacrolein and methacrolein oxide

(2007) Keith T. Kuwata et al.   CHEMICAL PHYSICS LETTERS