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Force-induced activation of covalent bonds in mechanoresponsive polymeric materials

Nature (London), 2009-05, Vol.459 (7243), p.68-72

2009

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Trapping a Diradical Transition State by Mechanochemical Polymer Extension

Science (American Association for the Advancement of Science), 2010-08, Vol.329 (5995), p.1057-1060

2010

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Engineered Piezoelectricity in Graphene

ACS nano, 2012-02, Vol.6 (2), p.1387-1394

2012

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Reactive Cross-Talk between Adjacent Tension-Trapped Transition States

Journal of the American Chemical Society, 2011-03, Vol.133 (10), p.3222-3225

2011

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Intrinsic Piezoelectricity in Two-Dimensional Materials

The journal of physical chemistry letters, 2012-10, Vol.3 (19), p.2871-2876

2012

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Inducing and quantifying forbidden reactivity with single-molecule polymer mechanochemistry

Nature chemistry, 2015-04, Vol.7 (4), p.323-327

2015

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Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

The journal of physical chemistry. B, 2015-01, Vol.119 (4), p.1535-1545

2015

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The Effect of Hydrogen and Fluorine Coadsorption on the Piezoelectric Properties of Graphene

Journal of physical chemistry. C, 2013-02, Vol.117 (7), p.3615-3620

2013

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First Principles Dynamics and Minimum Energy Pathways for Mechanochemical Ring Opening of Cyclobutene

Journal of the American Chemical Society, 2009-05, Vol.131 (18), p.6377-6379

2009

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Intercalation of Lithium into Graphite: Insights from First-Principles Simulations

Journal of physical chemistry. C, 2020-10, Vol.124 (40), p.21985-21992

2020

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Masked Cyanoacrylates Unveiled by Mechanical Force

Journal of the American Chemical Society, 2010-04, Vol.132 (13), p.4558-4559

2010

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Complex Ion Dynamics in Carbonate Lithium-Ion Battery Electrolytes

Journal of physical chemistry. C, 2017-03, Vol.121 (12), p.6589-6595

2017

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Surface-Induced Hybridization between Graphene and Titanium

ACS nano, 2014-08, Vol.8 (8), p.7704-7713

2014

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Catch and Release: Orbital Symmetry Guided Reaction Dynamics from a Freed “Tension Trapped Transition State”

Journal of organic chemistry, 2015-12, Vol.80 (23), p.11773-11778

2015

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Energetics and kinetics of vacancy diffusion and aggregation in shocked aluminium via orbital-free density functional theory

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (36), p.4951-4966

2007

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Universal roles of hydrogen in electrochemical performance of graphene: high rate capacity and atomistic origins

Scientific reports, 2015-11, Vol.5 (1), p.16190-16190, Article 16190

2015

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On the Extent and Connectivity of Conical Intersection Seams and the Effects of Three-State Intersections

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-12, Vol.112 (49), p.12559-12567

2008

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Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

The journal of physical chemistry. B, 2014-12, Vol.119 (4)

2014

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Paradoxical roles of hydrogen in electrochemical performance of graphene: High rate capacity and atomistic origins

Scientific reports, 2015-11, Vol.5 (C)

2015

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Interactive exploration of atomic trajectories through relative-angle distribution and associated uncertainties

2016 IEEE Pacific Visualization Symposium (PacificVis), 2016, p.120-127

2016

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Piezoelectricity in Monolayers and Bilayers of Inorganic Two-Dimensional Crystals

MRS proceedings, 2013, Vol.1556 (1), Article mrss13-1556-w09-10

2013

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The photochemical and mechanochemical ring opening of cyclobutene from first principles

Ong, Mitchell T

2010

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Electrode Surface Chemical Effects on Lithium Ion Intercalation: Insights from First-Principles Simulations

Meeting abstracts (Electrochemical Society), 2017-04, Vol.MA2017-01 (5), p.319-319

2017

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Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles Molecular Dynamics

Meeting abstracts (Electrochemical Society), 2016-06, Vol.MA2016-03 (2), p.1221-1221

2016

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Lithium Ion Solvation and Intercalation at Anode-Electrolyte Interface from First Principles

Meeting abstracts (Electrochemical Society), 2016-04, Vol.MA2016-01 (4), p.409-409

2016

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Force-induced activation of covalent bonds in mechanoresponsive polymeric materials

Trapping a Diradical Transition State by Mechanochemical Polymer Extension

Engineered Piezoelectricity in Graphene

Reactive Cross-Talk between Adjacent Tension-Trapped Transition States

Intrinsic Piezoelectricity in Two-Dimensional Materials

Inducing and quantifying forbidden reactivity with single-molecule polymer mechanochemistry

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

The Effect of Hydrogen and Fluorine Coadsorption on the Piezoelectric Properties of Graphene

First Principles Dynamics and Minimum Energy Pathways for Mechanochemical Ring Opening of Cyclobutene

Intercalation of Lithium into Graphite: Insights from First-Principles Simulations

Masked Cyanoacrylates Unveiled by Mechanical Force

Complex Ion Dynamics in Carbonate Lithium-Ion Battery Electrolytes

Surface-Induced Hybridization between Graphene and Titanium

Catch and Release: Orbital Symmetry Guided Reaction Dynamics from a Freed “Tension Trapped Transition State”

Energetics and kinetics of vacancy diffusion and aggregation in shocked aluminium via orbital-free density functional theory

Universal roles of hydrogen in electrochemical performance of graphene: high rate capacity and atomistic origins

On the Extent and Connectivity of Conical Intersection Seams and the Effects of Three-State Intersections

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

Paradoxical roles of hydrogen in electrochemical performance of graphene: High rate capacity and atomistic origins

Interactive exploration of atomic trajectories through relative-angle distribution and associated uncertainties

Piezoelectricity in Monolayers and Bilayers of Inorganic Two-Dimensional Crystals

The photochemical and mechanochemical ring opening of cyclobutene from first principles

Electrode Surface Chemical Effects on Lithium Ion Intercalation: Insights from First-Principles Simulations

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles Molecular Dynamics

Lithium Ion Solvation and Intercalation at Anode-Electrolyte Interface from First Principles

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