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Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces

Journal of physical chemistry. C, 2014-04, Vol.118 (13), p.6706-6718

2014

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Kinetics and Thermodynamics of H2O Dissociation on Reduced CeO2(111)

Journal of physical chemistry. C, 2014-11, Vol.118 (47), p.27402-27414

2014

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Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

The journal of physical chemistry letters, 2013-02, Vol.4 (3), p.388-392

2013

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Selective Electrochemical Generation of Hydrogen Peroxide from Water Oxidation

The journal of physical chemistry letters, 2015-11, Vol.6 (21), p.4224-4228

2015

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Towards identifying the active sites on RuO2(110) in catalyzing oxygen evolution

Energy & environmental science, 2017-01, Vol.10 (12), p.2626-2637

2017

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Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO2 Reduction

ChemCatChem, 2014-07, Vol.6 (7), p.1899-1905

2014

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Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2

ACS catalysis, 2015-07, Vol.5, p.4075-4081

2015

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Efficient calculation of electronic coupling integrals with the dimer projection method via a density matrix tight-binding potential

The Journal of chemical physics, 2023-10, Vol.159 (14)

2023

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Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

Angewandte Chemie (International ed.), 2008-06, Vol.47 (25), p.4683-4686

2008

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A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO₂ reduction

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (42), p.28270-28276

2015

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Thermoelectric efficiency of (1 - x)(GeTe) x(Bi2Se0.2Te2.8) and implementation into highly performing thermoelectric power generators

Dalton transactions : an international journal of inorganic chemistry, 2015-02, Vol.44 (6), p.2835-2843

2015

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Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

Journal of physics. Condensed matter, 2010-06, Vol.22 (25), p.253202-253202

2010

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Emerging Extraction Strategies in Analytical Chemistry

Analytical chemistry (Washington), 2020-01, Vol.92 (1), p.2-15

2020

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Elucidating the activity of stepped Pt single crystals for oxygen reduction

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (27), p.13625-13629

2014

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Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (1), p.49-7

2012

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Representation of the virtual space in extended systems - a correlation energy convergence study

Molecular physics, 2020-10, Vol.118 (19-20)

2020

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Smooth potential-energy surfaces in fragmentation-based local correlation methods for periodic systems

Molecular physics, 2021-05, Vol.119 (9), p.e1896046

2021

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The Cobalt–Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations

Journal of chemical theory and computation, 2012-06, Vol.8 (6), p.1870-1894

2012

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Impact of Baking on Vitamin E Content of Pseudocereals Amaranth, Quinoa, and Buckwheat

Cereal chemistry, 2009-09, Vol.86 (5), p.511-515

2009

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Identifying systematic DFT errors in catalytic reactions

Catalysis science & technology, 2015-01, Vol.5 (11), p.4946-4949

2015

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Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

ChemCatChem, 2011-07, Vol.3 (7), p.1159-1165

2011

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Optimizing Phosphopeptide Structures That Target 14-3-3ε in Cutaneous Squamous Cell Carcinoma

ACS omega, 2024-01, Vol.9 (2), p.2719-2729

2024

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Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (10), p.4720-4727

2014

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Enhanced Oxygen Reduction Activity by Selective Anion Adsorption on Non-Precious-Metal Catalysts

ACS catalysis, 2018-08, Vol.8 (8), p.7104-7112

2018

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Functional Independent Scaling Relation for ORR/OER Catalysts

Journal of physical chemistry. C, 2016-11, Vol.120 (43), p.24910-24916

2016

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Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces

Kinetics and Thermodynamics of H2O Dissociation on Reduced CeO2(111)

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

Selective Electrochemical Generation of Hydrogen Peroxide from Water Oxidation

Towards identifying the active sites on RuO2(110) in catalyzing oxygen evolution

Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO2 Reduction

Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2

Efficient calculation of electronic coupling integrals with the dimer projection method via a density matrix tight-binding potential

Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO₂ reduction

Thermoelectric efficiency of (1 - x)(GeTe) x(Bi2Se0.2Te2.8) and implementation into highly performing thermoelectric power generators

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

Emerging Extraction Strategies in Analytical Chemistry

Elucidating the activity of stepped Pt single crystals for oxygen reduction

Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory

Representation of the virtual space in extended systems - a correlation energy convergence study

Smooth potential-energy surfaces in fragmentation-based local correlation methods for periodic systems

The Cobalt–Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations

Impact of Baking on Vitamin E Content of Pseudocereals Amaranth, Quinoa, and Buckwheat

Identifying systematic DFT errors in catalytic reactions

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

Optimizing Phosphopeptide Structures That Target 14-3-3ε in Cutaneous Squamous Cell Carcinoma

Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces

Enhanced Oxygen Reduction Activity by Selective Anion Adsorption on Non-Precious-Metal Catalysts

Functional Independent Scaling Relation for ORR/OER Catalysts

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