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Molecular Products and Fundamentally Based Reaction Pathways in the Gas-Phase Pyrolysis of the Lignin Model Compound p‑Coumaryl Alcohol

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-05, Vol.121 (18), p.3352-3371

2017

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Thermochemistry and Bond Dissociation Energies of Ketones

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-06, Vol.116 (23), p.5707-5722

2012

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The C7H5 Fulvenallenyl Radical as a Combustion Intermediate: Potential New Pathways to Two- and Three-Ring PAHs

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-11, Vol.113 (44), p.12045-12048

2009

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Variational Analysis of the Phenyl + O2 and Phenoxy + O Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-04, Vol.112 (16), p.3566-3575

2008

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Thermal Decomposition of the Benzyl Radical to Fulvenallene (C7H6) + H

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-05, Vol.113 (21), p.6111-6120

2009

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Bond Energies and Thermochemical Properties of Ring-Opened Diradicals and Carbenes of exo-Tricyclo[5.2.1.02,6]decane

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-09, Vol.119 (38), p.9857-9878

2015

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Enthalpies of Formation, Bond Dissociation Energies and Reaction Paths for the Decomposition of Model Biofuels: Ethyl Propanoate and Methyl Butanoate

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-05, Vol.111 (19), p.3727-3739

2007

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Kinetic Analysis of Unimolecular Reactions Following the Addition of the Hydroxyl Radical to 1,1,2-Trifluoroethene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-06, Vol.125 (24), p.5375-5384

2021

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Indene Formation from Alkylated Aromatics: Kinetics and Products of the Fulvenallene + Acetylene Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-08, Vol.113 (31), p.8971-8978

2009

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Toluene Combustion: Reaction Paths, Thermochemical Properties, and Kinetic Analysis for the Methylphenyl Radical + O2 Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-09, Vol.111 (35), p.8663-8676

2007

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Thermochemistry of Methyl and Ethyl Nitro, RNO2, and Nitrite, RONO, Organic Compounds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-04, Vol.112 (14), p.3172-3185

2008

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Detailed Kinetics and Thermochemistry of C2H5 + O2: Reaction Kinetics of the Chemically-Activated and Stabilized CH3CH2OO• Adduct

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-08, Vol.106 (32), p.7276-7293

2002

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Thermochemistry of Intermediates and Products in the Oxidation Reaction of 1,1,2-Trifluoroethene via OH Radical

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-09, Vol.123 (37), p.8017-8027

2019

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Reaction pathways, kinetics and thermochemistry of the chemically-activated and stabilized primary methyl radical of methyl ethyl sulfide, CH3CH2SCH2•, with 3O2 to CH2CH3SCH2OO

Combustion and flame, 2019-06, Vol.204, p.368-379

2019

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Thermochemical Properties (Δf H°(298 K), S°(298 K), Cp (T)) and Bond Dissociation Energies for C1–C4 Normal Hydroperoxides and Peroxy Radicals

Journal of chemical and engineering data, 2016-05, Vol.61 (5), p.1836-1849

2016

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Theoretical Study of the Oxidation Catalyst N-Hydroxyphthalimide (NHPI): Thermochemical Properties, Internal Rotor Potential, and Gas- and Liquid-Phase Bond Dissociation Energies

Journal of physical chemistry. C, 2007-04, Vol.111 (15), p.5760-5765

2007

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Thermochemistry, Reaction Paths, and Kinetics on the tert-Isooctane Radical Reaction with O2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-07, Vol.118 (26), p.4631-4646

2014

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Thermochemical Properties: Enthalpy, Entropy, and Heat Capacity of C2–C3 Fluorinated Aldehydes. Radicals and Fluorocarbon Group Additivity

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-01, Vol.123 (3), p.650-665

2019

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Kinetics and Thermochemistry for the Gas-Phase Keto−Enol Tautomerism of Phenol ↔ 2,4-Cyclohexadienone

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-05, Vol.107 (19), p.3696-3703

2003

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OH-Initiated Reactions of para-Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part III. Kinetics of H-Abstraction by H, OH, and CH3 Radicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-06, Vol.124 (24), p.4905-4915

2020

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Thermodynamic and Ab Initio Analysis of the Controversial Enthalpy of Formation of Formaldehyde

Chemphyschem, 2006-05, Vol.7 (5), p.1119-1126

2006

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Thermochemical Properties Enthalpy, Entropy, and Heat Capacity of C1–C4 Fluorinated Hydrocarbons: Fluorocarbon Group Additivity

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-07, Vol.119 (29), p.8202-8215

2015

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Thermochemical Properties and Bond Dissociation Energies for Fluorinated Methanol, CH3-xFxOH, and Fluorinated Methyl Hydroperoxides, CH3-xFxOOH: Group Additivity

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-09, Vol.120 (35), p.6998-7010

2016

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Thermochemistry of Hydroxyl and Hydroperoxide Substituted Furan, Methylfuran, and Methoxyfuran

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-06, Vol.121 (23), p.4523-4544

2017

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Cyclopentadienone Oxidation Reaction Kinetics and Thermochemistry for the Alcohols, Hydroperoxides, and Vinylic, Alkoxy, and Alkylperoxy Radicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-01, Vol.120 (3), p.433-451

2016

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Molecular Products and Fundamentally Based Reaction Pathways in the Gas-Phase Pyrolysis of the Lignin Model Compound p‑Coumaryl Alcohol

Thermochemistry and Bond Dissociation Energies of Ketones

The C7H5 Fulvenallenyl Radical as a Combustion Intermediate: Potential New Pathways to Two- and Three-Ring PAHs

Variational Analysis of the Phenyl + O2 and Phenoxy + O Reactions

Thermal Decomposition of the Benzyl Radical to Fulvenallene (C7H6) + H

Bond Energies and Thermochemical Properties of Ring-Opened Diradicals and Carbenes of exo-Tricyclo[5.2.1.02,6]decane

Enthalpies of Formation, Bond Dissociation Energies and Reaction Paths for the Decomposition of Model Biofuels: Ethyl Propanoate and Methyl Butanoate

Kinetic Analysis of Unimolecular Reactions Following the Addition of the Hydroxyl Radical to 1,1,2-Trifluoroethene

Indene Formation from Alkylated Aromatics: Kinetics and Products of the Fulvenallene + Acetylene Reaction

Toluene Combustion: Reaction Paths, Thermochemical Properties, and Kinetic Analysis for the Methylphenyl Radical + O2 Reaction

Thermochemistry of Methyl and Ethyl Nitro, RNO2, and Nitrite, RONO, Organic Compounds

Detailed Kinetics and Thermochemistry of C2H5 + O2: Reaction Kinetics of the Chemically-Activated and Stabilized CH3CH2OO• Adduct

Thermochemistry of Intermediates and Products in the Oxidation Reaction of 1,1,2-Trifluoroethene via OH Radical

Reaction pathways, kinetics and thermochemistry of the chemically-activated and stabilized primary methyl radical of methyl ethyl sulfide, CH3CH2SCH2•, with 3O2 to CH2CH3SCH2OO

Thermochemical Properties (Δf H°(298 K), S°(298 K), Cp (T)) and Bond Dissociation Energies for C1–C4 Normal Hydroperoxides and Peroxy Radicals

Theoretical Study of the Oxidation Catalyst N-Hydroxyphthalimide (NHPI): Thermochemical Properties, Internal Rotor Potential, and Gas- and Liquid-Phase Bond Dissociation Energies

Thermochemistry, Reaction Paths, and Kinetics on the tert-Isooctane Radical Reaction with O2

Thermochemical Properties: Enthalpy, Entropy, and Heat Capacity of C2–C3 Fluorinated Aldehydes. Radicals and Fluorocarbon Group Additivity

Kinetics and Thermochemistry for the Gas-Phase Keto−Enol Tautomerism of Phenol ↔ 2,4-Cyclohexadienone

OH-Initiated Reactions of para-Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part III. Kinetics of H-Abstraction by H, OH, and CH3 Radicals

Thermodynamic and Ab Initio Analysis of the Controversial Enthalpy of Formation of Formaldehyde

Thermochemical Properties Enthalpy, Entropy, and Heat Capacity of C1–C4 Fluorinated Hydrocarbons: Fluorocarbon Group Additivity

Thermochemical Properties and Bond Dissociation Energies for Fluorinated Methanol, CH3-xFxOH, and Fluorinated Methyl Hydroperoxides, CH3-xFxOOH: Group Additivity

Thermochemistry of Hydroxyl and Hydroperoxide Substituted Furan, Methylfuran, and Methoxyfuran

Cyclopentadienone Oxidation Reaction Kinetics and Thermochemistry for the Alcohols, Hydroperoxides, and Vinylic, Alkoxy, and Alkylperoxy Radicals

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