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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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Molecular Engineered Hole‐Extraction Materials to Enable Dopant‐Free, Efficient p‐i‐n Perovskite Solar Cells

Advanced energy materials, 2017-09, Vol.7 (18), p.n/a

2017

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Doping of Fullerenes via Anion-Induced Electron Transfer and Its Implication for Surfactant Facilitated High Performance Polymer Solar Cells

Advanced materials (Weinheim), 2013-08, Vol.25 (32), p.4425-4430

2013

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Solution-Processible Highly Conducting Fullerenes

Advanced materials (Weinheim), 2013-05, Vol.25 (17), p.2457-2461

2013

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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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Highly Sensitive Built-In Strain Sensors for Polymer Composites: Fluorescence Turn-On Response through Mechanochemical Activation

Advanced materials (Weinheim), 2016-08, Vol.28 (31), p.6592-6597

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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Computational Study of Ferrocene-Based Molecular Frameworks with 2,5-Diethynylpyridine as a Chemical Bridge

Materials, 2010-04, Vol.3 (4), p.2668-2683

2010

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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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Real-Time TDDFT Studies of Exciton Decay and Transfer in Silver Nanowire Arrays

Journal of physical chemistry. C, 2015-03, Vol.119 (11), p.6421-6427

2015

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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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Achieving high-performance thick-film perovskite solar cells with electron transporting Bingel fullerenes

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (32), p.15495-15503

2018

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Enhanced Performance of Organic Solar Cells with Increased End Group Dipole Moment in Indacenodithieno[3,2-b]thiophene-Based Molecules

Advanced functional materials, 2015-08, Vol.25 (30), p.4889-4897

2015

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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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Imaging covalent bond formation by H atom scattering from graphene

Molecular Engineered Hole‐Extraction Materials to Enable Dopant‐Free, Efficient p‐i‐n Perovskite Solar Cells

Doping of Fullerenes via Anion-Induced Electron Transfer and Its Implication for Surfactant Facilitated High Performance Polymer Solar Cells

Solution-Processible Highly Conducting Fullerenes

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

Highly Sensitive Built-In Strain Sensors for Polymer Composites: Fluorescence Turn-On Response through Mechanochemical Activation

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

Computational Study of Ferrocene-Based Molecular Frameworks with 2,5-Diethynylpyridine as a Chemical Bridge

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

Real-Time TDDFT Studies of Exciton Decay and Transfer in Silver Nanowire Arrays

The Chronus Quantum software package

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

Achieving high-performance thick-film perovskite solar cells with electron transporting Bingel fullerenes

Enhanced Performance of Organic Solar Cells with Increased End Group Dipole Moment in Indacenodithieno[3,2-b]thiophene-Based Molecules

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

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