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Understanding Surface Catalyzed Decomposition Reactions Using a Chemical Pathway Analysis

Journal of physical chemistry. C, 2018-12, Vol.122 (49), p.28158-28172

2018

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Whole‐exome sequencing for diagnosis of hereditary ichthyosis

Journal of the European Academy of Dermatology and Venereology, 2018-06, Vol.32 (6), p.1022-1027

2018

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Global Sensitivity Analysis of Chemical-Kinetic Reaction Mechanisms: Construction and Deconstruction of the Probability Density Function

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-03, Vol.115 (9), p.1556-1578

2011

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Theoretical Validation of Chemical Kinetic Mechanisms: Combustion of Methanol

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (32), p.8286-8301

2010

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Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-06, Vol.126 (23), p.3783-3796

2022

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A six-dimensional wave packet study of the vibrational overtone induced decomposition of hydrogen peroxide

The Journal of chemical physics, 2012-04, Vol.136 (16), p.164314-164314-5

2012

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Gas-Phase Reaction Kinetics of Pyruvic Acid with OH Radicals: The Role of Tunneling, Complex Formation, and Conformational Structure

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-02, Vol.124 (5), p.790-800

2020

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Single-Molecule Kinetics of Styrene Hydrogenation on Silica-Supported Vanadium: The Role of Disorder for Single-Atom Catalysts

Journal of physical chemistry. C, 2021-09, Vol.125 (37), p.20286-20300

2021

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Kinetic Study of Gas-Phase Reactions of Pyruvic Acid with HO2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-03, Vol.125 (11), p.2232-2242

2021

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Pathway-Switching Mechanism for Water-Catalyzed Ethanol Decomposition on Cu(111)

Journal of physical chemistry. C, 2020-04, Vol.124 (17), p.9385-9393

2020

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The role of the three body photodissociation channel of water in the evolution of dioxygen in astrophysical applications

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.9235-9248

2021

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Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways

The journal of physical chemistry letters, 2017-08, Vol.8 (16), p.3826-3833

2017

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Kinetic Study of Gas-Phase Reactions of Pyruvic Acid with HO 2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-03, Vol.125 (11), p.2232-2242

2021

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Computational Investigation of the Role of Active Site Heterogeneity for a Supported Organovanadium(III) Hydrogenation Catalyst

ACS catalysis, 2021-06, Vol.11 (12), p.7257-7269

2021

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A chemical pathway perspective on the kinetics of low-temperature ignition of propane

Combustion and flame, 2019-04, Vol.202 (C), p.154-178

2019

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A Simple Picture for the Rotational Enhancement of the Rate for the F + HCl → HF + Cl Reaction: A Dynamical Study Using a New ab initio Potential Energy Surface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-01, Vol.110 (2), p.436-444

2006

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Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface

The Journal of chemical physics, 2006-06, Vol.124 (22), p.224303-224303

2006

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Double Hydrogen-Atom Exchange Reactions of HX (X = F, Cl, Br, I) with HO2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-06, Vol.122 (24), p.5251-5260

2018

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Observation of a transition state resonance in the integral cross section of the F+HD reaction

The Journal of chemical physics, 2000-03, Vol.112 (10), p.4536-4552

2000

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The sum over histories representation for chemical kinetics: a quantitative theory based on chemical pathways

International Reviews in Physical Chemistry, 2016-10, Vol.35 (4), p.539-567

2016

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A Single Molecule View of Bistilbene Photoisomerization on a Surface Using Scanning Tunneling Microscopy

Journal of the American Chemical Society, 2005-08, Vol.127 (31), p.10788-10789

2005

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Double Hydrogen-Atom Exchange Reactions of HX (X = F, Cl, Br, I) with HO 2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-06, Vol.122 (24), p.5251-5260

2018

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Sum over Histories Representation for Kinetic Sensitivity Analysis: How Chemical Pathways Change When Reaction Rate Coefficients Are Varied

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (45), p.11039-11052

2015

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Interference of quantized transition-state pathways in the H + D2 → D + HD chemical reaction

Science (American Association for the Advancement of Science), 2003-06, Vol.300 (5626), p.1730-1734

2003

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Uncertainty driven theoretical kinetics studies for CH3OH ignition: HO2+CH3OH and O2+CH3OH

Proceedings of the Combustion Institute, 2011, Vol.33 (1), p.351-357

2011

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Understanding Surface Catalyzed Decomposition Reactions Using a Chemical Pathway Analysis

Whole‐exome sequencing for diagnosis of hereditary ichthyosis

Global Sensitivity Analysis of Chemical-Kinetic Reaction Mechanisms: Construction and Deconstruction of the Probability Density Function

Theoretical Validation of Chemical Kinetic Mechanisms: Combustion of Methanol

Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis

A six-dimensional wave packet study of the vibrational overtone induced decomposition of hydrogen peroxide

Gas-Phase Reaction Kinetics of Pyruvic Acid with OH Radicals: The Role of Tunneling, Complex Formation, and Conformational Structure

Single-Molecule Kinetics of Styrene Hydrogenation on Silica-Supported Vanadium: The Role of Disorder for Single-Atom Catalysts

Kinetic Study of Gas-Phase Reactions of Pyruvic Acid with HO2

Pathway-Switching Mechanism for Water-Catalyzed Ethanol Decomposition on Cu(111)

The role of the three body photodissociation channel of water in the evolution of dioxygen in astrophysical applications

Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways

Kinetic Study of Gas-Phase Reactions of Pyruvic Acid with HO 2

Computational Investigation of the Role of Active Site Heterogeneity for a Supported Organovanadium(III) Hydrogenation Catalyst

A chemical pathway perspective on the kinetics of low-temperature ignition of propane

A Simple Picture for the Rotational Enhancement of the Rate for the F + HCl → HF + Cl Reaction: A Dynamical Study Using a New ab initio Potential Energy Surface

Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface

Double Hydrogen-Atom Exchange Reactions of HX (X = F, Cl, Br, I) with HO2

Observation of a transition state resonance in the integral cross section of the F+HD reaction

The sum over histories representation for chemical kinetics: a quantitative theory based on chemical pathways

A Single Molecule View of Bistilbene Photoisomerization on a Surface Using Scanning Tunneling Microscopy

Double Hydrogen-Atom Exchange Reactions of HX (X = F, Cl, Br, I) with HO 2

Sum over Histories Representation for Kinetic Sensitivity Analysis: How Chemical Pathways Change When Reaction Rate Coefficients Are Varied

Interference of quantized transition-state pathways in the H + D2 → D + HD chemical reaction

Uncertainty driven theoretical kinetics studies for CH3OH ignition: HO2+CH3OH and O2+CH3OH

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