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Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation

Proceedings of the National Academy of Sciences - PNAS, 2008-09, Vol.105 (35), p.12719-12724

2008

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Dynamics and quantum yields of H2 + CH2CO as a primary photolysis channel in CH3CHO

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (26), p.14284-14295

2019

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A comparative study of vibrational anharmonicity in the bihalide anions XHX −: X=F, Cl, Br

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 1999-03, Vol.55 (3), p.719-729

1999

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Photophysical oxidation of HCHO produces HO2 radicals

Nature chemistry, 2023-10, Vol.15 (10), p.1350-1357

2023

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Rotational resonances in the H2CO roaming reaction are revealed by detailed correlations

Science (American Association for the Advancement of Science), 2020-09, Vol.369 (6511), p.1592-1596

2020

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Structural Effects on the Norrish Type I α‑Bond Cleavage of Tropospherically Important Carbonyls

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-12, Vol.123 (48), p.10381-10396

2019

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An assessment of the tropospherically accessible photo-initiated ground state chemistry of organic carbonyls

Atmospheric chemistry and physics, 2022-01, Vol.22 (2), p.929-949

2022

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Photo-tautomerization of acetaldehyde as a photochemical source of formic acid in the troposphere

Nature communications, 2018-07, Vol.9 (1), p.2584-7, Article 2584

2018

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Photo-Tautomerization of Acetaldehyde to Vinyl Alcohol: A Potential Route to Tropospheric Acids

Science (American Association for the Advancement of Science), 2012-09, Vol.337 (6099), p.1203-1206

2012

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The energy dependence of CO(v,J) produced from H 2 CO via the transition state, roaming, and triple fragmentation channels

The Journal of chemical physics, 2017-07, Vol.147 (1), p.013935

2017

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Zero-point energy conservation in classical trajectory simulations: Application to H2CO

The Journal of chemical physics, 2018-05, Vol.148 (19), p.194113-194113

2018

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Path integrals with higher order actions: Application to realistic chemical systems

The Journal of chemical physics, 2018-02, Vol.148 (7), p.074106-074106

2018

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Infrared Spectra of Gas-Phase 1- and 2‑Propenol Isomers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-05, Vol.121 (19), p.3679-3688

2017

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Phototautomerization of Acetaldehyde to Vinyl Alcohol: A Primary Process in UV-Irradiated Acetaldehyde from 295 to 335 nm

The journal of physical chemistry letters, 2012-12, Vol.3 (23), p.3522-3526

2012

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Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials

Chemical physics letters, 2008-12, Vol.467 (1), p.126-130

2008

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Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials

The Journal of chemical physics, 2015-11, Vol.143 (19), p.194302-194302

2015

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A Phase Space Theory for Roaming Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (32), p.7631-7642

2013

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Synthesis and Conformational Analysis of α,β-Difluoro-γ-amino Acid Derivatives

Chemistry : a European journal, 2011-02, Vol.17 (8), p.2340-2343

2011

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A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

The Journal of chemical physics, 2015-07, Vol.143 (4), p.044114-044114

2015

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H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum Simulation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-12, Vol.119 (50), p.12166-12181

2015

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Generating accurate dipole moment surfaces using modified Shepard interpolation

The Journal of chemical physics, 2014-05, Vol.140 (20), p.204107-204107

2014

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The response of a molecule to an external electric field: predicting structural and spectroscopic change

Chemical physics letters, 2003-03, Vol.370 (1), p.14-20

2003

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"Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li(+)-benzene

The Journal of chemical physics, 2015-08, Vol.143 (7), p.074311-074311

2015

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Roaming Reaction Pathways Along Excited States

Science (American Association for the Advancement of Science), 2012-03, Vol.335 (6072), p.1054-1055

2012

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Quantum effects and anharmonicity in the H2-Li(+)-benzene complex: a model for hydrogen storage materials

The Journal of chemical physics, 2013-12, Vol.139 (23), p.234305-234305

2013

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Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation

Dynamics and quantum yields of H2 + CH2CO as a primary photolysis channel in CH3CHO

A comparative study of vibrational anharmonicity in the bihalide anions XHX −: X=F, Cl, Br

Photophysical oxidation of HCHO produces HO2 radicals

Rotational resonances in the H2CO roaming reaction are revealed by detailed correlations

Structural Effects on the Norrish Type I α‑Bond Cleavage of Tropospherically Important Carbonyls

An assessment of the tropospherically accessible photo-initiated ground state chemistry of organic carbonyls

Photo-tautomerization of acetaldehyde as a photochemical source of formic acid in the troposphere

Photo-Tautomerization of Acetaldehyde to Vinyl Alcohol: A Potential Route to Tropospheric Acids

The energy dependence of CO(v,J) produced from H 2 CO via the transition state, roaming, and triple fragmentation channels

Zero-point energy conservation in classical trajectory simulations: Application to H2CO

Path integrals with higher order actions: Application to realistic chemical systems

Infrared Spectra of Gas-Phase 1- and 2‑Propenol Isomers

Phototautomerization of Acetaldehyde to Vinyl Alcohol: A Primary Process in UV-Irradiated Acetaldehyde from 295 to 335 nm

Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials

Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials

A Phase Space Theory for Roaming Reactions

Synthesis and Conformational Analysis of α,β-Difluoro-γ-amino Acid Derivatives

A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum Simulation

Generating accurate dipole moment surfaces using modified Shepard interpolation

The response of a molecule to an external electric field: predicting structural and spectroscopic change

"Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li(+)-benzene

Roaming Reaction Pathways Along Excited States

Quantum effects and anharmonicity in the H2-Li(+)-benzene complex: a model for hydrogen storage materials

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