Tuning Second Coordination Sphere Interactions in Polypyridyl–Iron Complexes to Achieve Selective Electrocatalytic Reduction of Carbon Dioxide to Carbon Monoxide
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March 2020 |
Computational Study of an Iron(II) Polypyridine Electrocatalyst for CO 2 Reduction: Key Roles for Intramolecular Interactions in CO 2 Binding and Proton Transfer
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May 2020 |
Single-Ion Solvation Free Energies and the Normal Hydrogen Electrode Potential in Methanol, Acetonitrile, and Dimethyl Sulfoxide
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January 2007 |
Powering the planet: Chemical challenges in solar energy utilization
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October 2006 |
Unified Benchmarking of Electrocatalysts in Noninnocent Second Coordination Spheres for CO 2 Reduction
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July 2019 |
What would it take for renewably powered electrosynthesis to displace petrochemical processes?
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April 2019 |
Electrochemical Reduction of CO 2 over Heterogeneous Catalysts in Aqueous Solution: Recent Progress and Perspectives
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December 2018 |
Visible-Light-Driven Conversion of CO 2 to CH 4 with an Organic Sensitizer and an Iron Porphyrin Catalyst
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December 2018 |
Molecular Electrochemical Catalysis of the CO 2 -to-CO Conversion with a Co Complex: A Cyclic Voltammetry Mechanistic Investigation
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September 2018 |
Ultraefficient homogeneous catalyst for the CO 2 -to-CO electrochemical conversion
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October 2014 |
Unravelling the Origin of Intermolecular Interactions Using Absolutely Localized Molecular Orbitals
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September 2007 |
Mechanistic Insights into Co and Fe Quaterpyridine-Based CO 2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways
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January 2021 |
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
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January 2009 |
Through-Space Charge Interaction Substituent Effects in Molecular Catalysis Leading to the Design of the Most Efficient Catalyst of CO 2 -to-CO Electrochemical Conversion
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December 2016 |
Quick and Easy Method to Dramatically Improve the Electrochemical CO 2 Reduction Activity of an Iron Porphyrin Complex
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August 2021 |
A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles: Energetic span, a refinement of everyday thinking
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April 2012 |
Current Issues in Molecular Catalysis Illustrated by Iron Porphyrins as Catalysts of the CO 2 -to-CO Electrochemical Conversion
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November 2015 |
Fundamentals and Challenges of Electrochemical CO2 Reduction Using Two-Dimensional Materials
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October 2017 |
Oriented Electrostatic Effects on O2 and CO2 Reduction by a Polycationic Iron Porphyrin
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July 2021 |
The Mechanism of Homogeneous CO 2 Reduction by Ni(cyclam): Product Selectivity, Concerted Proton–Electron Transfer and C–O Bond Cleavage
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June 2014 |
A Gross-Margin Model for Defining Technoeconomic Benchmarks in the Electroreduction of CO 2
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June 2016 |
Photochemical and Photoelectrochemical Reduction of CO 2
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May 2012 |
Transition Metal Complexes as Catalysts for the Electroconversion of CO 2 : An Organometallic Perspective
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January 2021 |
Towards an intelligent design of molecular electrocatalysts
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October 2017 |
Highly Selective Molecular Catalysts for the CO 2 -to-CO Electrochemical Conversion at Very Low Overpotential. Contrasting Fe vs Co Quaterpyridine Complexes upon Mechanistic Studies
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March 2018 |
Local ionic liquid environment at a modified iron porphyrin catalyst enhances the electrocatalytic performance of CO 2 to CO reduction in water
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January 2018 |
Turnover Numbers, Turnover Frequencies, and Overpotential in Molecular Catalysis of Electrochemical Reactions. Cyclic Voltammetry and Preparative-Scale Electrolysis
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June 2012 |
Electrochemical and spectroscopic methods for evaluating molecular electrocatalysts
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May 2017 |
Visible-light-driven methane formation from CO2 with a molecular iron catalyst
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July 2017 |
Solar Fuels via Artificial Photosynthesis
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December 2009 |
Evaluation of Homogeneous Electrocatalysts by Cyclic Voltammetry
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September 2014 |
Secondary-Sphere Effects in Molecular Electrocatalytic CO2 Reduction
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June 2019 |
Molecular engineering for efficient and selective iron porphyrin catalysts for electrochemical reduction of CO 2 to CO
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January 2016 |
Electrocatalytic reduction of carbon dioxide: opportunities with heterogeneous molecular catalysts
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January 2020 |
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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January 2005 |
Consistent inclusion of continuum solvation in energy decomposition analysis: theory and application to molecular CO 2 reduction catalysts
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January 2021 |
Dissociation and Homoconjugation of Certain Phenols in Acetonitrile
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September 1965 |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
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August 2021 |
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
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April 2017 |
Mechanisms of catalytic reduction of CO 2 with heme and nonheme metal complexes
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January 2018 |
Correction to Turnover Numbers, Turnover Frequencies, and Overpotential in Molecular Catalysis of Electrochemical Reactions. Cyclic Voltammetry and Preparative-Scale Electrolysis
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November 2012 |
An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO 2 Reduction to CO
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December 2020 |
A Combined Kinetic−Quantum Mechanical Model for Assessment of Catalytic Cycles: Application to Cross-Coupling and Heck Reactions
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March 2006 |
Recent Trends, Benchmarking, and Challenges of Electrochemical Reduction of CO 2 by Molecular Catalysts
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May 2019 |
How to Conceptualize Catalytic Cycles? The Energetic Span Model
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February 2011 |
From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis
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April 2021 |
Determining the Overpotential of Electrochemical Fuel Synthesis Mediated by Molecular Catalysts: Recommended Practices, Standard Reduction Potentials, and Challenges
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August 2021 |
Hybrid Catalysts for Artificial Photosynthesis: Merging Approaches from Molecular, Materials, and Biological Catalysis
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March 2020 |
Benchmarking of Homogeneous Electrocatalysts: Overpotential, Turnover Frequency, Limiting Turnover Number
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April 2015 |
Metal–Polypyridyl Catalysts for Electro- and Photochemical Reduction of Water to Hydrogen
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June 2015 |
Synthesis, properties and crystal structures of iron-( II ) and -( III ) complexes of 2,2′:6′,2″:6″,2‴-quaterpyridine
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January 1995 |
An NADH-Inspired Redox Mediator Strategy to Promote Second-Sphere Electron and Proton Transfer for Cooperative Electrochemical CO 2 Reduction Catalyzed by Iron Porphyrin
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June 2020 |
Efficient and selective molecular catalyst for the CO 2 -to-CO electrochemical conversion in water
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May 2015 |
A Local Proton Source Enhances CO 2 Electroreduction to CO by a Molecular Fe Catalyst
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October 2012 |
Reduction of Systematic Uncertainty in DFT Redox Potentials of Transition-Metal Complexes
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March 2012 |
Catalysis of the electrochemical reduction of carbon dioxide by iron(“0”) porphyrins
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July 1988 |
From molecular metal complex to metal-organic framework: The CO2 reduction photocatalysts with clear and tunable structure
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July 2019 |
Interpreting the Electrocatalytic Voltammetry of Homogeneous Catalysts by the Foot of the Wave Analysis and Its Wider Implications
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June 2019 |
Metal–Ligand Cooperativity via Exchange Coupling Promotes Iron- Catalyzed Electrochemical CO 2 Reduction at Low Overpotentials
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November 2020 |
Homogeneously Catalyzed Electroreduction of Carbon Dioxide—Methods, Mechanisms, and Catalysts
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January 2018 |
A Computational Study of the Mechanism of Hydrogen Evolution by Cobalt(Diimine-Dioxime) Catalysts
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September 2013 |
H 2 Evolution and Molecular Electrocatalysts: Determination of Overpotentials and Effect of Homoconjugation
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November 2010 |
Automatic analysis of computed catalytic cycles
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November 2010 |
Multielectron, Multistep Molecular Catalysis of Electrochemical Reactions: Benchmarking of Homogeneous Catalysts
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June 2014 |
Biological CO2 fixation with production of microalgae in wastewater – A review
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September 2017 |
Towards artificial photosynthesis: Sustainable hydrogen utilization for photocatalytic reduction of CO2 to high-value renewable fuels
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December 2020 |
Assessment of Theoretical Procedures for Calculating Barrier Heights for a Diverse Set of Water-Catalyzed Proton-Transfer Reactions
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April 2012 |
Quantum-Chemical Predictions of Absolute Standard Redox Potentials of Diverse Organic Molecules and Free Radicals in Acetonitrile
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May 2005 |
Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO 2 Fixation
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June 2013 |
Acidities of strong neutral Brønsted acids in different media: ACIDITIES OF STRONG NEUTRAL BRØNSTED ACIDS
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May 2012 |