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CO2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields

Journal of the American Chemical Society, 2018-12, Vol.140 (50), p.17643-17655

2018

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Facet-Dependent Photoelectrochemical Performance of TiO2 Nanostructures: An Experimental and Computational Study

Journal of the American Chemical Society, 2015-02, Vol.137 (4), p.1520-1529

2015

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Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical Investigations

Accounts of chemical research, 2019-05, Vol.52 (5), p.1289-1300

2019

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Interfacial Structure and Electric Field Probed by in Situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling

Journal of physical chemistry. C, 2017-08, Vol.121 (34), p.18674-18682

2017

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Ultrafast Photoinduced Interfacial Proton Coupled Electron Transfer from CdSe Quantum Dots to 4,4′-Bipyridine

Journal of the American Chemical Society, 2016-01, Vol.138 (3), p.884-892

2016

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A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties

Chemical science (Cambridge), 2017, Vol.8 (2), p.1642-1652

2017

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Molecular titanium-hydroxamate complexes as models for TiO2 surface binding

Chemical communications (Cambridge, England), 2016-01, Vol.52 (14), p.2972-2975

2016

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Assessment of DFT for Computing Sum Frequency Generation Spectra of an Epoxydiol and a Deuterated Isotopologue at Fused Silica/Vapor Interfaces

The journal of physical chemistry. B, 2016-03, Vol.120 (8), p.1919-1927

2016

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Water-Nucleophilic Attack Mechanism for the CuII(pyalk)2 Water-Oxidation Catalyst

ACS catalysis, 2018-07, Vol.8 (9), p.7952-7960

2018

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On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

Journal of chemical theory and computation, 2019-04, Vol.15 (4), p.2346-2358

2019

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On Achieving High Accuracy in Quantum Chemical Calculations of 3d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

Journal of chemical theory and computation, 2019-04, Vol.15 (4), p.2346-2358

2019

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Is the Supporting Information the Venue for Reproducibility and Transparency?

The journal of physical chemistry. B, 2017-12, Vol.121 (51), p.11425-11426

2017

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Is the Supporting Information the Venue for Reproducibility and Transparency?

Journal of physical chemistry. C, 2017-12, Vol.121 (51), p.28212-28213

2017

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Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals

Journal of chemical theory and computation, 2022-05, Vol.18 (5), p.2845-2862

2022

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CO 2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields

Journal of the American Chemical Society, 2018-12, Vol.140 (50), p.17643-17655

2018

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Is the Supporting Information the Venue for Reproducibility and Transparency?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-12, Vol.121 (51), p.9680-9681

2017

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Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo

Journal of chemical theory and computation, 2020-05, Vol.16 (5), p.3041-3054

2020

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Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-11, Vol.127 (44), p.9178-9184

2023

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Electron–Hole-Pair-Induced Vibrational Energy Relaxation of Rhenium Catalysts on Gold Surfaces

The journal of physical chemistry letters, 2018-01, Vol.9 (2), p.406-412

2018

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Electrode-Ligand Interactions Dramatically Enhance CO2 Conversion to CO by the [Ni(cyclam)](PF6)2 Catalyst

ACS catalysis, 2017-08, Vol.7 (8), p.5282-5288

2017

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Thousandfold Enhancement of Photoreduction Lifetime in Re(bpy)(CO)(3) via Spin-Dependent Electron Transfer from a Perylenediimide Radical Anion Donor

Journal of the American Chemical Society, 2017-11, Vol.139 (46), p.16466

2017

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Inverse Design of a Catalyst for Aqueous CO/CO 2 Conversion Informed by the Ni II -Iminothiolate Complex

Inorganic chemistry, 2018-12, Vol.57 (24), p.15474-15480

2018

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Dopant-Dependent SFG Response of Rhenium CO2 Reduction Catalysts Chemisorbed on SrTiO3 (100) Single Crystals

Journal of physical chemistry. C, 2018-06, Vol.122 (25), p.13944-13952

2018

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Orientation of Cyano-Substituted Bipyridine Re(I) fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces

Journal of physical chemistry. C, 2016-01, Vol.120 (3), p.1657-1665

2016

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Dopant-Dependent SFG Response of Rhenium CO 2 Reduction Catalysts Chemisorbed on SrTiO 3 (100) Single Crystals

Journal of physical chemistry. C, 2018-06, Vol.122 (25), p.13944-13952

2018

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CO2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields

Facet-Dependent Photoelectrochemical Performance of TiO2 Nanostructures: An Experimental and Computational Study

Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical Investigations

Interfacial Structure and Electric Field Probed by in Situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling

Ultrafast Photoinduced Interfacial Proton Coupled Electron Transfer from CdSe Quantum Dots to 4,4′-Bipyridine

A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties

Molecular titanium-hydroxamate complexes as models for TiO2 surface binding

Assessment of DFT for Computing Sum Frequency Generation Spectra of an Epoxydiol and a Deuterated Isotopologue at Fused Silica/Vapor Interfaces

Water-Nucleophilic Attack Mechanism for the CuII(pyalk)2 Water-Oxidation Catalyst

On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

On Achieving High Accuracy in Quantum Chemical Calculations of 3d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

Is the Supporting Information the Venue for Reproducibility and Transparency?

Is the Supporting Information the Venue for Reproducibility and Transparency?

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals

CO 2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields

Is the Supporting Information the Venue for Reproducibility and Transparency?

Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo

Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations

Electron–Hole-Pair-Induced Vibrational Energy Relaxation of Rhenium Catalysts on Gold Surfaces

Electrode-Ligand Interactions Dramatically Enhance CO2 Conversion to CO by the [Ni(cyclam)](PF6)2 Catalyst

Thousandfold Enhancement of Photoreduction Lifetime in Re(bpy)(CO)(3) via Spin-Dependent Electron Transfer from a Perylenediimide Radical Anion Donor

Inverse Design of a Catalyst for Aqueous CO/CO 2 Conversion Informed by the Ni II -Iminothiolate Complex

Dopant-Dependent SFG Response of Rhenium CO2 Reduction Catalysts Chemisorbed on SrTiO3 (100) Single Crystals

Orientation of Cyano-Substituted Bipyridine Re(I) fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces

Dopant-Dependent SFG Response of Rhenium CO 2 Reduction Catalysts Chemisorbed on SrTiO 3 (100) Single Crystals

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