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A room temperature rechargeable Li2O-based lithium-air battery enabled by a solid electrolyte

Science (American Association for the Advancement of Science), 2023-02, Vol.379 (6631), p.499-505

2023

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Gaussian-4 theory

The Journal of chemical physics, 2007-02, Vol.126 (8), p.084108-084108-12

2007

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Gaussian-4 theory using reduced order perturbation theory

The Journal of chemical physics, 2007-09, Vol.127 (12), p.124105-124105-8

2007

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Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane

Nature materials, 2009-03, Vol.8 (3), p.213-216

2009

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Origin of Unusual Acidity and Li+ Diffusivity in a Series of Water-in-Salt Electrolytes

The journal of physical chemistry. B, 2020-06, Vol.124 (25), p.5284-5291

2020

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Gn theory

Wiley interdisciplinary reviews. Computational molecular science, 2011-09, Vol.1 (5), p.810-825

2011

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Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies

The Journal of chemical physics, 2005-09, Vol.123 (12), p.124107-124107

2005

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Computational Studies of the Thermochemistry for Conversion of Glucose to Levulinic Acid

The journal of physical chemistry. B, 2010-07, Vol.114 (27), p.9002-9009

2010

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Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from Density Functional Theory (DFT) Studies

ACS catalysis, 2015-12, Vol.5 (12), p.7177-7185

2015

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Increasing Ionic Conductivity of Poly(ethylene oxide) by Reaction with Metallic Li

Advanced energy and sustainability research, 2022-01, Vol.3 (1), p.n/a

2022

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Fluorinated electrolytes for 5 V lithium-ion battery chemistry

Energy & environmental science, 2013-06, Vol.6 (6), p.1806

2013

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Accurate quantum chemical energies for 133 000 organic molecules

Chemical science (Cambridge), 2019-08, Vol.1 (31), p.7449-7455

2019

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Investigation of Gaussian4 Theory for Transition Metal Thermochemistry

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-04, Vol.113 (17), p.5170-5175

2009

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Oxidatively stable fluorinated sulfone electrolytes for high voltage high energy lithium-ion batteries

Energy & environmental science, 2017-04, Vol.10 (4), p.900-904

2017

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A Long‐Cycle‐Life Lithium–CO2 Battery with Carbon Neutrality

Advanced materials (Weinheim), 2019-10, Vol.31 (40), p.e1902518-n/a

2019

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Improved synthesis of a highly fluorinated boronic ester as dual functional additive for lithium-ion batteries

Journal of power sources, 2011-02, Vol.196 (4), p.2171-2178

2011

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Molecular engineering towards safer lithium-ion batteries: a highly stable and compatible redox shuttle for overcharge protection

Energy & environmental science, 2012-07, Vol.5 (8), p.8204-8207

2012

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Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-07, Vol.124 (28), p.5804-5811

2020

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Structure and Stability of Lithium Superoxide Clusters and Relevance to Li–O2 Batteries

The journal of physical chemistry letters, 2014-03, Vol.5 (5), p.813-819

2014

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Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-07, Vol.125 (27), p.5990-5998

2021

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Improving the Accuracy of Composite Methods: A G4MP2 Method with G4-like Accuracy and Implications for Machine Learning

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-07, Vol.126 (27), p.4528-4536

2022

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Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-07, Vol.127 (28), p.5914-5920

2023

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Raman Evidence for Late Stage Disproportionation in a Li–O2 Battery

The journal of physical chemistry letters, 2014-08, Vol.5 (15), p.2705-2710

2014

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Increased Stability Toward Oxygen Reduction Products for Lithium-Air Batteries with Oligoether-Functionalized Silane Electrolytes

Journal of physical chemistry. C, 2011-12, Vol.115 (51), p.25535-25542

2011

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Computational Predictions of the Stability of Fluorinated Calcium Aluminate and Borate Salts

ACS applied materials & interfaces, 2023-02, Vol.15 (5), p.6933-6941

2023

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A room temperature rechargeable Li2O-based lithium-air battery enabled by a solid electrolyte

Gaussian-4 theory

Gaussian-4 theory using reduced order perturbation theory

Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane

Origin of Unusual Acidity and Li+ Diffusivity in a Series of Water-in-Salt Electrolytes

Gn theory

Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies

Computational Studies of the Thermochemistry for Conversion of Glucose to Levulinic Acid

Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from Density Functional Theory (DFT) Studies

Increasing Ionic Conductivity of Poly(ethylene oxide) by Reaction with Metallic Li

Fluorinated electrolytes for 5 V lithium-ion battery chemistry

Accurate quantum chemical energies for 133 000 organic molecules

Investigation of Gaussian4 Theory for Transition Metal Thermochemistry

Oxidatively stable fluorinated sulfone electrolytes for high voltage high energy lithium-ion batteries

A Long‐Cycle‐Life Lithium–CO2 Battery with Carbon Neutrality

Improved synthesis of a highly fluorinated boronic ester as dual functional additive for lithium-ion batteries

Molecular engineering towards safer lithium-ion batteries: a highly stable and compatible redox shuttle for overcharge protection

Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms

Structure and Stability of Lithium Superoxide Clusters and Relevance to Li–O2 Batteries

Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models

Improving the Accuracy of Composite Methods: A G4MP2 Method with G4-like Accuracy and Implications for Machine Learning

Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning

Raman Evidence for Late Stage Disproportionation in a Li–O2 Battery

Increased Stability Toward Oxygen Reduction Products for Lithium-Air Batteries with Oligoether-Functionalized Silane Electrolytes

Computational Predictions of the Stability of Fluorinated Calcium Aluminate and Borate Salts

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