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EStokTP: Electronic Structure to Temperature- and Pressure-Dependent Rate ConstantsA Code for Automatically Predicting the Thermal Kinetics of Reactions

Journal of chemical theory and computation, 2019-02, Vol.15 (2), p.1122-1145

2019

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Direct Observation of Roaming Radicals in the Thermal Decomposition of Acetaldehyde

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-01, Vol.114 (2), p.755-764

2010

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Low Temperature Kinetics of the First Steps of Water Cluster Formation

Physical review letters, 2016-03, Vol.116 (11), p.113401-113401, Article 113401

2016

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Rate Constants for the Thermal Decomposition of Ethanol and Its Bimolecular Reactions with OH and D: Reflected Shock Tube and Theoretical Studies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-09, Vol.114 (35), p.9425-9439

2010

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Shock Tube and Theory Investigation of Cyclohexane and 1-Hexene Decomposition

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (48), p.13570-13583

2009

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First-Principles Chemical Kinetic Modeling of Methyl trans-3-Hexenoate Epoxidation by HO2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (9), p.1909-1915

2017

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Thermal Decomposition of NH2OH and Subsequent Reactions: Ab Initio Transition State Theory and Reflected Shock Tube Experiments

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-09, Vol.113 (38), p.10241-10259

2009

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Formation of NH3 and CH2NH in Titan's upper atmosphere

Faraday discussions, 2010-01, Vol.147, p.31-49

2010

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Shock Tube Explorations of Roaming Radical Mechanisms: The Decompositions of Isobutane and Neopentane

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-06, Vol.116 (24), p.5981-5989

2012

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Shock Tube and Theoretical Studies on the Thermal Decomposition of Propane: Evidence for a Roaming Radical Channel

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-04, Vol.115 (15), p.3366-3379

2011

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H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidation

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (16), p.10607-10627

2018

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Initial Steps of Aromatic Ring Formation in a Laminar Premixed Fuel-Rich Cyclopentene Flame

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-05, Vol.111 (19), p.4081-4092

2007

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A combined ab initio and photoionization mass spectrometric study of polyynes in fuel-rich flames

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (3), p.366-374

2008

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Experimental and theoretical rate constants for CH4 + O2 → CH3 + HO2

Combustion and flame, 2007-04, Vol.149 (1-2), p.104-111

2007

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D-Atom Products in Predissociation of CD2CD2OH from the 202−215 nm Photodissociation of 2-Bromoethanol

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-05, Vol.114 (17), p.5453-5461

2010

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Observational evidence for Criegee intermediate oligomerization reactions relevant to aerosol formation in the troposphere

Nature geoscience, 2024-03, Vol.17 (3), p.219-226

2024

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A Crossed Molecular Beams Study on the Formation of the Exotic Cyanoethynyl Radical in Titan's Atmosphere

The Astrophysical journal, 2009-08, Vol.701 (2), p.1797-1803

2009

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Thermal Decomposition of CF3 and the Reaction of CF2 + OH → CF2O + H

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-01, Vol.112 (1), p.31-37

2008

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Reflected Shock Tube and Theoretical Studies of High-Temperature Rate Constants for OH + CF3H ⇆ CF3 + H2O and CF3 + OH → Products

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (29), p.6822-6831

2007

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H-Abstraction reactions by OH, HO 2 , O, O 2 and benzyl radical addition to O 2 and their implications for kinetic modelling of toluene oxidation

Physical chemistry chemical physics : PCCP, 2018-04, Vol.20 (16), p.10607-10627

2018

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Propane clusters in Titan’s lower atmosphere: insights from a combined theory/laboratory study

Monthly notices of the Royal Astronomical Society, 2019-09, Vol.488 (1), p.676-684

2019

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A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)

The Astrophysical journal. Supplement series, 2012-03, Vol.199 (1), p.1-10

2012

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Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory

Combustion and flame, 2011-04, Vol.158 (4), p.618-632

2011

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First-Principles Chemical Kinetic Modeling of Methyl trans-3-Hexenoate Epoxidation by HO 2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (9), p.1909-1915

2017

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A shock-tube and theory study of the dissociation of acetone and subsequent recombination of methyl radicals

Proceedings of the Combustion Institute, 2009, Vol.32 (1), p.123-130

2009

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EStokTP: Electronic Structure to Temperature- and Pressure-Dependent Rate ConstantsA Code for Automatically Predicting the Thermal Kinetics of Reactions

Direct Observation of Roaming Radicals in the Thermal Decomposition of Acetaldehyde

Low Temperature Kinetics of the First Steps of Water Cluster Formation

Rate Constants for the Thermal Decomposition of Ethanol and Its Bimolecular Reactions with OH and D: Reflected Shock Tube and Theoretical Studies

Shock Tube and Theory Investigation of Cyclohexane and 1-Hexene Decomposition

First-Principles Chemical Kinetic Modeling of Methyl trans-3-Hexenoate Epoxidation by HO2

Thermal Decomposition of NH2OH and Subsequent Reactions: Ab Initio Transition State Theory and Reflected Shock Tube Experiments

Formation of NH3 and CH2NH in Titan's upper atmosphere

Shock Tube Explorations of Roaming Radical Mechanisms: The Decompositions of Isobutane and Neopentane

Shock Tube and Theoretical Studies on the Thermal Decomposition of Propane: Evidence for a Roaming Radical Channel

H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidation

Initial Steps of Aromatic Ring Formation in a Laminar Premixed Fuel-Rich Cyclopentene Flame

A combined ab initio and photoionization mass spectrometric study of polyynes in fuel-rich flames

Experimental and theoretical rate constants for CH4 + O2 → CH3 + HO2

D-Atom Products in Predissociation of CD2CD2OH from the 202−215 nm Photodissociation of 2-Bromoethanol

Observational evidence for Criegee intermediate oligomerization reactions relevant to aerosol formation in the troposphere

A Crossed Molecular Beams Study on the Formation of the Exotic Cyanoethynyl Radical in Titan's Atmosphere

Thermal Decomposition of CF3 and the Reaction of CF2 + OH → CF2O + H

Reflected Shock Tube and Theoretical Studies of High-Temperature Rate Constants for OH + CF3H ⇆ CF3 + H2O and CF3 + OH → Products

H-Abstraction reactions by OH, HO 2 , O, O 2 and benzyl radical addition to O 2 and their implications for kinetic modelling of toluene oxidation

Propane clusters in Titan’s lower atmosphere: insights from a combined theory/laboratory study

A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)

Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory

First-Principles Chemical Kinetic Modeling of Methyl trans-3-Hexenoate Epoxidation by HO 2

A shock-tube and theory study of the dissociation of acetone and subsequent recombination of methyl radicals

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