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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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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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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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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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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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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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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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A conductive liquid crystal viafacile doping of an n-type benzodifurandione derivative

Journal of materials chemistry. A, Materials for energy and sustainability, 2015-03, Vol.3 (13), p.6929-6934

2015

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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

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

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

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

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

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

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

A conductive liquid crystal viafacile doping of an n-type benzodifurandione derivative

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