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Roaming: A Phase Space Perspective

Annual review of physical chemistry, 2017-05, Vol.68 (1), p.499-524

2017

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Reaction Path Bifurcation in an Electrocyclic Reaction: Ring-Opening of the Cyclopropyl Radical

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-06, Vol.119 (25), p.6611-6630

2015

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Empirical Classification of Trajectory Data: An Opportunity for the Use of Machine Learning in Molecular Dynamics

The journal of physical chemistry. B, 2018-04, Vol.122 (13), p.3230-3241

2018

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Nonstatistical dynamics on the caldera

The Journal of chemical physics, 2014-07, Vol.141 (3), p.034111-034111

2014

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Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone

The Journal of chemical physics, 2016-02, Vol.144 (5), p.054107-054107

2016

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Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111), Pt(111), and Ni(111)

Journal of physical chemistry. C, 2014-06, Vol.118 (23), p.12364-12383

2014

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Phase Space Structures Explain Hydrogen Atom Roaming in Formaldehyde Decomposition

The journal of physical chemistry letters, 2015-10, Vol.6 (20), p.4123-4128

2015

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Toward Understanding the Roaming Mechanism in H + MgH → Mg + HH Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.5145-5154

2016

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Will water act as a photocatalyst for cluster phase chemical reactions? Vibrational overtone-induced dehydration reaction of methanediol

The Journal of chemical physics, 2012-04, Vol.136 (16), p.164302-164302-9

2012

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Water Catalysis and Anticatalysis in Photochemical Reactions: Observation of a Delayed Threshold Effect in the Reaction Quantum Yield

Journal of the American Chemical Society, 2010-11, Vol.132 (43), p.15154-15157

2010

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Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points

Regular & chaotic dynamics, 2018, Vol.23 (1), p.60-79

2018

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A semiclassical adiabatic calculation of state densities for molecules exhibiting torsion: application to hydrogen peroxide and its isotopomers

Theoretical chemistry accounts, 2014-09, Vol.133 (9), Article 1530

2014

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CHAPTER 6 - Adiabatic Treatment of Torsional Anharmonicity and Mode Coupling in Molecular Partition Functions and Statistical Rate Coefficients: Application to Hydrogen Peroxide

Reaction rate constant computations : theories and applications, 2013, p.133-153

2013

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Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters: the dynamics of water catalyzed reactions in CH2FOH.H2On

Physical chemistry chemical physics : PCCP, 2007-08, Vol.9 (29), p.3864-3871

2007

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Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters: the dynamics of water catalyzed reactions in CH 2 FOH·(H 2 O) n

Physical chemistry chemical physics : PCCP, 2007, Vol.9 (29), p.3864-3871

2007

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Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters : the dynamics of water catalyzed reactions in CH2FOH . (H2O)n

Physical chemistry chemical physics : PCCP, 2007, Vol.9 (29), p.3864-3871

2007

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Adiabatic Treatment of Torsional Anharmonicity and Mode Coupling in Molecular Partition Functions and Statistical Rate Coefficients: Application to Hydrogen Peroxide

Reaction Rate Constant Computations, 2013

2013

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Roaming: A Phase Space Perspective

Reaction Path Bifurcation in an Electrocyclic Reaction: Ring-Opening of the Cyclopropyl Radical

Empirical Classification of Trajectory Data: An Opportunity for the Use of Machine Learning in Molecular Dynamics

Nonstatistical dynamics on the caldera

Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone

Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111), Pt(111), and Ni(111)

Phase Space Structures Explain Hydrogen Atom Roaming in Formaldehyde Decomposition

Toward Understanding the Roaming Mechanism in H + MgH → Mg + HH Reaction

Will water act as a photocatalyst for cluster phase chemical reactions? Vibrational overtone-induced dehydration reaction of methanediol

Water Catalysis and Anticatalysis in Photochemical Reactions: Observation of a Delayed Threshold Effect in the Reaction Quantum Yield

Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points

A semiclassical adiabatic calculation of state densities for molecules exhibiting torsion: application to hydrogen peroxide and its isotopomers

CHAPTER 6 - Adiabatic Treatment of Torsional Anharmonicity and Mode Coupling in Molecular Partition Functions and Statistical Rate Coefficients: Application to Hydrogen Peroxide

Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters: the dynamics of water catalyzed reactions in CH2FOH.H2On

Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters: the dynamics of water catalyzed reactions in CH 2 FOH·(H 2 O) n

Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters : the dynamics of water catalyzed reactions in CH2FOH . (H2O)n

Adiabatic Treatment of Torsional Anharmonicity and Mode Coupling in Molecular Partition Functions and Statistical Rate Coefficients: Application to Hydrogen Peroxide

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