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Computational Design of Cobalt Catalysts for Hydrogenation of Carbon Dioxide and Dehydrogenation of Formic Acid

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/ange.200902695openalex-snapshot
The Crystal Structure of an [Fe]‐Hydrogenase–Substrate Complex Reveals the Framework for H2 Activation
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Carbon Dioxide as a Raw Material: The Synthesis of Formic Acid and Its Derivatives from CO2
inferredcites →https://doi.org/10.1002/anie.200902695openalex-snapshot
The Crystal Structure of an [Fe]‐Hydrogenase–Substrate Complex Reveals the Framework for H2 Activation
inferredcites →https://doi.org/10.1002/anie.201000533openalex-snapshot
State‐of‐the‐Art Catalysts for Hydrogenation of Carbon Dioxide
inferredcites →https://doi.org/10.1002/anie.201004263openalex-snapshot
A Well‐Defined Iron Catalyst for the Reduction of Bicarbonates and Carbon Dioxide to Formates, Alkyl Formates, and Formamides
inferredcites →https://doi.org/10.1002/anie.201100201openalex-snapshot
A Five‐Coordinate Iron Center in the Active Site of [Fe]‐Hydrogenase: Hints from a Model Study
inferredcites →https://doi.org/10.1002/anie.201102010openalex-snapshot
Transformation of Carbon Dioxide with Homogeneous Transition‐Metal Catalysts: A Molecular Solution to a Global Challenge?
inferredcites →https://doi.org/10.1002/anie.201104542openalex-snapshot
Low‐Pressure Hydrogenation of Carbon Dioxide Catalyzed by an Iron Pincer Complex Exhibiting Noble Metal Activity
inferredcites →https://doi.org/10.1002/anie.201307224openalex-snapshot
Selective Hydrogen Production from Methanol with a Defined Iron Pincer Catalyst under Mild Conditions
inferredcites →https://doi.org/10.1002/anie.201402090openalex-snapshot
Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe‐H⋅⋅⋅H‐N Dihydrogen Bond Characterized by Neutron Diffraction
inferredcites →https://doi.org/10.1002/anie.201402542openalex-snapshot
Hydrogenation of Esters to Alcohols with a Well‐Defined Iron Complex
inferredcites →https://doi.org/10.1002/cctc.201402119openalex-snapshot
Highly Efficient Reversible Hydrogenation of Carbon Dioxide to Formates Using a Ruthenium PNP‐Pincer Catalyst
inferredcites →https://doi.org/10.1002/chem.201002907openalex-snapshot
Water‐Soluble IrIII N‐Heterocyclic Carbene Based Catalysts for the Reduction of CO2 to Formate by Transfer Hydrogenation and the Deuteration of Aryl Amines in Water
inferredcites →https://doi.org/10.1002/chem.201101343openalex-snapshot
Catalytic Hydrogenation of Carbon Dioxide and Bicarbonates with a Well‐Defined Cobalt Dihydrogen Complex
inferredcites →https://doi.org/10.1002/chem.201304290openalex-snapshot
Synthesis and Reactivity of Mononuclear Iron Models of [Fe]‐Hydrogenase that Contain an Acylmethylpyridinol Ligand
inferredcites →https://doi.org/10.1002/cssc.200800133openalex-snapshot
Breakthroughs in Hydrogen Storage—Formic Acid as a Sustainable Storage Material for Hydrogen
inferredcites →https://doi.org/10.1002/cssc.201301414openalex-snapshot
Formic Acid Dehydrogenation with Bioinspired Iridium Complexes: A Kinetic Isotope Effect Study and Mechanistic Insight
inferredcites →https://doi.org/10.1007/bf00533485openalex-snapshot
The influence of polarization functions on molecular orbital hydrogenation energies
inferredcites →https://doi.org/10.1007/s00214-007-0310-xopenalex-snapshot
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
inferredcites →https://doi.org/10.1016/0040-4039(70)80086-7openalex-snapshot
Formamides from carbon dioxide, amines and hydrogen in the presence of metal complexes
inferredcites →https://doi.org/10.1016/j.ccr.2004.05.019openalex-snapshot
Recent advances in the homogeneous hydrogenation of carbon dioxide
inferredcites →https://doi.org/10.1016/j.febslet.2009.01.017openalex-snapshot
The crystal structure of C176A mutated [Fe]‐hydrogenase suggests an acyl‐iron ligation in the active site iron complex
inferredcites →https://doi.org/10.1021/acs.chemrev.5b00197openalex-snapshot
CO2 Hydrogenation to Formate and Methanol as an Alternative to Photo- and Electrochemical CO2 Reduction
inferredcites →https://doi.org/10.1021/acscatal.5b01646openalex-snapshot
A Molecular Copper Catalyst for Hydrogenation of CO 2 to Formate
inferredcites →https://doi.org/10.1021/acscatal.6b00416openalex-snapshot
Efficient and Mild Carbon Dioxide Hydrogenation to Formate Catalyzed by Fe(II) Hydrido Carbonyl Complexes Bearing 2,6-(Diaminopyridyl)diphosphine Pincer Ligands
inferredcites →https://doi.org/10.1021/cr000021bopenalex-snapshot
Dihydrogen Bonding: Structures, Energetics, and Dynamics
inferredcites →https://doi.org/10.1021/cr00034a001openalex-snapshot
Homogeneous Hydrogenation of Carbon Dioxide
inferredcites →https://doi.org/10.1021/cr068357uopenalex-snapshot
Transformation of Carbon Dioxide
inferredcites →https://doi.org/10.1021/cr300463yopenalex-snapshot
Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO 2 Fixation
inferredcites →https://doi.org/10.1021/cr9904009openalex-snapshot
Quantum Mechanical Continuum Solvation Models
inferredcites →https://doi.org/10.1021/cs2000329openalex-snapshot
Hydrogenation of Carbon Dioxide Catalyzed by PNP Pincer Iridium, Iron, and Cobalt Complexes: A Computational Design of Base Metal Catalysts
inferredcites →https://doi.org/10.1021/cs400609uopenalex-snapshot
Catalytic CO 2 Hydrogenation to Formate by a Ruthenium Pincer Complex
inferredcites →https://doi.org/10.1021/cs500061uopenalex-snapshot
Mechanistic Insights into Ruthenium-Catalyzed Production of H2 and CO2 from Methanol and Water: A DFT Study
inferredcites →https://doi.org/10.1021/cs5009927openalex-snapshot
A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation
inferredcites →https://doi.org/10.1021/cs501990copenalex-snapshot
Catalytic Hydrogenation of CO 2 to Formates by a Lutidine-Derived Ru–CNC Pincer Complex: Theoretical Insight into the Unrealized Potential
inferredcites →https://doi.org/10.1021/cs501998topenalex-snapshot
Iron(II) Complexes of the Linear rac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation
inferredcites →https://doi.org/10.1021/ic402762vopenalex-snapshot
Synthesis and Structure of Six-Coordinate Iron Borohydride Complexes Supported by PNP Ligands
inferredcites →https://doi.org/10.1021/ic502508popenalex-snapshot
Hydricity of an Fe–H Species and Catalytic CO2 Hydrogenation
inferredcites →https://doi.org/10.1021/ja0167856openalex-snapshot
Hydrogenation of Carbon Dioxide Catalyzed by Ruthenium Trimethylphosphine Complexes: The Accelerating Effect of Certain Alcohols and Amines
inferredcites →https://doi.org/10.1021/ja2035514openalex-snapshot
Secondary Coordination Sphere Interactions Facilitate the Insertion Step in an Iridium(III) CO2 Reduction Catalyst
inferredcites →https://doi.org/10.1021/ja307924aopenalex-snapshot
Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate
inferredcites →https://doi.org/10.1021/ja406601vopenalex-snapshot
A Cobalt-Based Catalyst for the Hydrogenation of CO 2 under Ambient Conditions
inferredcites →https://doi.org/10.1021/ja4082233openalex-snapshot
Iron(II) Complexes Containing Unsymmetrical P–N–P′ Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines
inferredcites →https://doi.org/10.1021/ja505241xopenalex-snapshot
Lewis Acid-Assisted Formic Acid Dehydrogenation Using a Pincer-Supported Iron Catalyst
inferredcites →https://doi.org/10.1021/ja902689nopenalex-snapshot
Monoiron Hydrogenase Catalysis: Hydrogen Activation with the Formation of a Dihydrogen, Fe−Hδ−···Hδ+−O, Bond and Methenyl-H4MPT+ Triggered Hydride Transfer
inferredcites →https://doi.org/10.1021/ja903574eopenalex-snapshot
Catalytic Hydrogenation of Carbon Dioxide Using Ir(III)−Pincer Complexes
inferredcites →https://doi.org/10.1021/jp810292nopenalex-snapshot
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
inferredcites →https://doi.org/10.1038/nature11891openalex-snapshot
Low-temperature aqueous-phase methanol dehydrogenation to hydrogen and carbon dioxide
inferredcites →https://doi.org/10.1038/nature11955openalex-snapshot
A step closer to a methanol economy
inferredcites →https://doi.org/10.1038/nchem.1295openalex-snapshot
Reversible hydrogen storage using CO2 and a proton-switchable iridium catalyst in aqueous media under mild temperatures and pressures
inferredcites →https://doi.org/10.1038/nchem.1595openalex-snapshot
A homogeneous transition metal complex for clean hydrogen production from methanol–water mixtures
inferredcites →https://doi.org/10.1039/c0cs00129eopenalex-snapshot
Transition-metal-catalyzed C–C bond formation through the fixation of carbon dioxide
inferredcites →https://doi.org/10.1039/c1cs15008aopenalex-snapshot
Recent advances in catalytic hydrogenation of carbon dioxide
inferredcites →https://doi.org/10.1039/c2ee21928jopenalex-snapshot
Formic acid as a hydrogen source – recent developments and future trends
inferredcites →https://doi.org/10.1039/c5cc03372aopenalex-snapshot
Bio-inspired computational design of iron catalysts for the hydrogenation of carbon dioxide
inferredcites →https://doi.org/10.1039/c5sc01467kopenalex-snapshot
Iron catalyzed CO 2 hydrogenation to formate enhanced by Lewis acid co-catalysts
inferredcites →https://doi.org/10.1063/1.1677527openalex-snapshot
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.438955openalex-snapshot
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Theoretical Study of Co ‐ C atalysis
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The significance of acid-base properties in the key ligand for $$\hbox {CO}_{2}$$ CO 2 hydrogenation: role of amido ligand
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Mechanistic Insights and Computational Prediction of Base Metal Pincer Complexes for Catalytic Hydrogenation and Dehydrogenation Reactions
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Organometallic Pincer Complexes of Cobalt, Rhodium, and Iridium
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Clustering of carbon dioxide around zinc oxide cluster
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Mechanistic insights into formic acid dehydrogenation promoted by Cu-amino based systems
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Mechanistic insight into cobalt-catalyzed stereodivergent semihydrogenation of alkynes: The story of selectivity control
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Mechanochemical synthesis of carbene copper complexes for CO2 hydrogenation to formate
inferred← citeshttps://doi.org/10.1016/j.jcou.2022.102315openalex-snapshot
Iridium supported on spinal cubic cobalt oxide catalyst for the selective hydrogenation of CO2 to formic acid
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inferred← citeshttps://doi.org/10.1021/acs.chemrev.7b00182openalex-snapshot
Homogeneous Catalysis for Sustainable Hydrogen Storage in Formic Acid and Alcohols
inferred← citeshttps://doi.org/10.1021/acs.chemrev.8b00404openalex-snapshot
Hydride Transfer Reactions Catalyzed by Cobalt Complexes
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Catalytic Dehydrogenation of Formic Acid Promoted by Triphos-Co Complexes: Two Competing Pathways for H 2 Production
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Carbon Dioxide Insertion into Group 9 and 10 Metal–Element σ Bonds
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Cyclopentadienone Diphosphine Ruthenium Complex: A Designed Catalyst for the Hydrogenation of Carbon Dioxide to Methanol
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Homogeneous Catalytic CO2 Hydrogenation by [Fe]-Hydrogenase Bioinspired Complexes: A Computational Study
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Assessing Tetrel-Based Neutral Frustrated Lewis Pairs for Catalytic Hydrogenation
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Homogeneous Catalysis by Cobalt and Manganese Pincer Complexes
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Aperture-Opening Encapsulation of a Transition Metal Catalyst in a Metal–Organic Framework for CO 2 Hydrogenation
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Other Directions for FLP Hydrogenations
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Flexible proton-responsive ligand-based Mn( i ) complexes for CO 2 hydrogenation: a DFT study
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Mechanistic insights into catalytic CO 2 hydrogenation using Mn( i )-complexes with pendant oxygen ligands
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Synthesis and reactivity of a PC carbene P cobalt( i ) complex: the missing link in the cobalt PXP pincer series (X = B, C, N)
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Intensification par pervaporation de la synthèse de carbonates organiques à partir d'alcools et de CO₂
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