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Imaging covalent bond formation by H atom scattering from graphene

Science (American Association for the Advancement of Science), 2019-04, Vol.364 (6438), p.379-382

2019

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Aromatic thiol-mediated cleavage of N–O bonds enables chemical ubiquitylation of folded proteins

Nature communications, 2016-09, Vol.7 (1), p.12979-12979, Article 12979

2016

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Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex

Journal of the American Chemical Society, 2008-03, Vol.130 (9), p.2716-2717

2008

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Doping Versatile n‑Type Organic Semiconductors via Room Temperature Solution-Processable Anionic Dopants

ACS applied materials & interfaces, 2017-01, Vol.9 (1), p.1136-1144

2017

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First-Principles Calculation of pKa Values for Organic Acids in Nonaqueous Solution

Journal of organic chemistry, 2009-04, Vol.74 (7), p.2679-2691

2009

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First-Principles Calculation of pK a Values for Organic Acids in Nonaqueous Solution

Journal of organic chemistry, 2009-04, Vol.74 (7), p.2679-2691

2009

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Hyperfine interaction and its effects on spin dynamics in organic solids

Physical review. B, Condensed matter and materials physics, 2013-05, Vol.87 (20), Article 205446

2013

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The Chronus Quantum software package

Wiley interdisciplinary reviews. Computational molecular science, 2020-03, Vol.10 (2), p.e1436-n/a

2020

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Small Nuclear Quantum Effects in Scattering of H and D from Graphene

The journal of physical chemistry letters, 2021-02, Vol.12 (7)

2021

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OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

The Journal of chemical physics, 2021-11, Vol.155 (20)

2021

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Approximate singly excited states from a two-component Hartree-Fock reference

The Journal of chemical physics, 2015-10, Vol.143 (14)

2015

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Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods

Chemical physics letters, 2017-09, Vol.683 (C)

2017

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Stability of the complex generalized Hartree-Fock equations

The Journal of chemical physics, 2015-04, Vol.142 (15)

2015

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Achieving high-performance thick-film perovskite solar cells with electron transporting Bingel fullerenesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8ta05636f

2018-08

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Time-dependent non-equilibrium dielectric response in QM/continuum approaches

The Journal of chemical physics, 2015-01, Vol.142 (3)

2015

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Ab initio non-relativistic spin dynamics

The Journal of chemical physics, 2014-12, Vol.141 (21)

2014

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Imaging covalent bond formation by H atom scattering from graphene

Science (American Association for the Advancement of Science), 2019-04, Vol.364 (6438)

2019

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Ab initio two-component Ehrenfest dynamics

The Journal of chemical physics, 2015-09, Vol.143 (11)

2015

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Polymer Triplet Energy Levels Need Not Limit Photocurrent Collection in Organic Solar Cells

Journal of the American Chemical Society, 2012-12, Vol.134 (48), p.19661-19668

2012

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Nanoparticle-Mediated Intervalence Transfer

Journal of the American Chemical Society, 2008-09, Vol.130 (36), p.12156-12162

2008

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Modulate Molecular Interaction between Hole Extraction Polymers and Lead Ions toward Hysteresis‐Free and Efficient Perovskite Solar Cells

Advanced materials interfaces, 2018-08, Vol.5 (15), p.n/a

2018

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The Chronus Quantum software package

Wiley interdisciplinary reviews. Computational molecular science, 2019-09, Vol.10 (2)

2019

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First-Principles Calculation of p K a Values for Organic Acids in Nonaqueous Solution

Journal of organic chemistry, 2009-04, Vol.74 (7), p.2679-2691

2009

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Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods

Ding, Feizhi

2015

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A conductive liquid crystal via facile doping of an n-type benzodifurandione derivativeElectronic supplementary information (ESI) available: Synthesis of the chemicals, characterization data. See DOI: 10.1039/c5ta00115c

2015-03

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Imaging covalent bond formation by H atom scattering from graphene

Aromatic thiol-mediated cleavage of N–O bonds enables chemical ubiquitylation of folded proteins

Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex

Doping Versatile n‑Type Organic Semiconductors via Room Temperature Solution-Processable Anionic Dopants

First-Principles Calculation of pKa Values for Organic Acids in Nonaqueous Solution

First-Principles Calculation of pK a Values for Organic Acids in Nonaqueous Solution

Hyperfine interaction and its effects on spin dynamics in organic solids

The Chronus Quantum software package

Small Nuclear Quantum Effects in Scattering of H and D from Graphene

OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

Approximate singly excited states from a two-component Hartree-Fock reference

Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods

Stability of the complex generalized Hartree-Fock equations

Achieving high-performance thick-film perovskite solar cells with electron transporting Bingel fullerenesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8ta05636f

Time-dependent non-equilibrium dielectric response in QM/continuum approaches

Ab initio non-relativistic spin dynamics

Imaging covalent bond formation by H atom scattering from graphene

Ab initio two-component Ehrenfest dynamics

Polymer Triplet Energy Levels Need Not Limit Photocurrent Collection in Organic Solar Cells

Nanoparticle-Mediated Intervalence Transfer

Modulate Molecular Interaction between Hole Extraction Polymers and Lead Ions toward Hysteresis‐Free and Efficient Perovskite Solar Cells

The Chronus Quantum software package

First-Principles Calculation of p K a Values for Organic Acids in Nonaqueous Solution

Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods

A conductive liquid crystal via facile doping of an n-type benzodifurandione derivativeElectronic supplementary information (ESI) available: Synthesis of the chemicals, characterization data. See DOI: 10.1039/c5ta00115c

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