Secondary Coordination Sphere Interactions Facilitate the Insertion Step in an Iridium(III) CO 2 Reduction Catalyst
|
journal
|
June 2011 |
Reduction of carbon dioxide by {2,6-bis[(di-tert-butylphosphino)methyl]phenyl}dihydridorhodium(III)
|
journal
|
January 1988 |
Low-Pressure Hydrogenation of Carbon Dioxide Catalyzed by an Iron Pincer Complex Exhibiting Noble Metal Activity
|
journal
|
September 2011 |
Iridium catalyzed hydrogenation of CO2 under basic conditions—Mechanistic insight from theory☆
|
journal
|
June 2010 |
Recent advances in the homogeneous hydrogenation of carbon dioxide
|
journal
|
December 2004 |
Electrocatalytic and homogeneous approaches to conversion of CO 2 to liquid fuels
|
journal
|
January 2009 |
Catalysis of the electrochemical reduction of carbon dioxide
|
journal
|
January 2013 |
Making C–H bonds with CO 2 : production of formate by molecular electrocatalysts
|
journal
|
January 2016 |
Selective formation of HCOO – in the electrochemical CO 2 reduction catalysed by [Ru(bpy) 2 (CO) 2 ] 2+ (bpy = 2,2′-bipyridine)
|
journal
|
January 1987 |
Electrocatalytic reduction of carbon dioxide by 2,2'-bipyridine complexes of rhodium and iridium
|
journal
|
December 1988 |
Homogeneous CO 2 Reduction by Ni(cyclam) at a Glassy Carbon Electrode
|
journal
|
March 2012 |
Nickel(II)-cyclam: an extremely selective electrocatalyst for reduction of CO2 in water
|
journal
|
January 1984 |
Manganese as a Substitute for Rhenium in CO 2 Reduction Catalysts: The Importance of Acids
|
journal
|
February 2013 |
Electrochemical reduction of carbon dioxide catalyzed by [Pd(triphosphine)(solvent)](BF4)2 complexes: synthetic and mechanistic studies
|
journal
|
November 1991 |
An Iron Electrocatalyst for Selective Reduction of CO 2 to Formate in Water: Including Thermochemical Insights
|
journal
|
November 2015 |
Tailoring Electrocatalysts for Selective CO 2 or H + Reduction: Iron Carbonyl Clusters as a Case Study
|
journal
|
November 2015 |
Selective Electrocatalytic Reduction of CO 2 to Formate by Water-Stable Iridium Dihydride Pincer Complexes
|
journal
|
March 2012 |
Selective electrocatalytic reduction of carbon dioxide to formate by a water-soluble iridium pincer catalyst
|
journal
|
January 2013 |
Electrocatalytic Reduction of Carbon Dioxide: Let the Molecules Do the Work
|
journal
|
November 2014 |
Theoretical mechanism studies on the electrocatalytic reduction of CO2 to formate by water-stable iridium dihydride pincer complex
|
journal
|
January 2013 |
A Computational Investigation of the Insertion of Carbon Dioxide into Four- and Five-Coordinate Iridium Hydrides
|
journal
|
May 2013 |
Reduced State of Iridium PCP Pincer Complexes in Electrochemical CO 2 Hydrogenation
|
journal
|
May 2016 |
Preparation of a Dihydrogen Complex of Cobalt
|
journal
|
October 2010 |
Density‐functional thermochemistry. III. The role of exact exchange
|
journal
|
April 1993 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
|
journal
|
January 1988 |
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
|
journal
|
January 1985 |
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
|
journal
|
October 1982 |
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
|
journal
|
March 1972 |
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
|
journal
|
July 2007 |
Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe
|
journal
|
February 2001 |
Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F
|
journal
|
October 1983 |
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
|
journal
|
January 1980 |
Entropy and Related Thermodynamic Properties of Acetonitrile (Methyl Cyanide)
|
journal
|
January 1965 |
Aqueous Solvation Free Energies of Ions and Ion−Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton
|
journal
|
August 2006 |
Vapor Pressure Tables for Water
|
journal
|
May 1964 |
Relationship between the gas-phase entropies of molecules and their entropies of solvation in water and 1-octanol
|
journal
|
July 1980 |
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences
|
journal
|
July 2013 |
Solvent-Dependent Structure of Iridium Dihydride Complexes: Different Geometries at Low and High Dielectricity of the Medium
|
journal
|
February 2016 |
Temperature- and Solvent-Dependent Binding of Dihydrogen in Iridium Pincer Complexes
|
journal
|
December 2006 |
Experimental and Theoretical Study of CO 2 Insertion into Ruthenium Hydride Complexes
|
journal
|
February 2016 |
Theoretical Investigation of a Parallel Catalytic Cycle in CO 2 Hydrogenation by (PNP)IrH 3
|
journal
|
July 2015 |
Elucidation of the Selectivity of Proton-Dependent Electrocatalytic CO 2 Reduction by fac -Re(bpy)(CO) 3 Cl
|
journal
|
October 2013 |
The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS 2
|
journal
|
May 2015 |
Hydride Ion Transfer from Ruthenium(II) Complexes in Water: Kinetics and Mechanism
|
journal
|
November 2010 |
730. The salting-out of non-electrolytes. Part II. The effect of variation in non-electrolyte
|
journal
|
January 1952 |
Synthesis, Characterization, and Interconversion of the Rhenium Polyhydrides [ReH3(η4-NP3)] and [ReH4(η4-NP3)]+ {NP3 = tris[2-(diphenylphosphanyl)ethyl]amine}
|
journal
|
June 2002 |
Experimental and Computational Studies of Hydrogen Bonding and Proton Transfer to [Cp*Fe(dppe)H]
|
journal
|
December 2004 |
Protonation of transition-metal hydrides: a not so simple process
|
journal
|
January 2009 |
Dihydrogen to Dihydride Isomerization Mechanism in [(C 5 Me 5 )FeH 2 (Ph 2 PCH 2 CH 2 PPh 2 )] + through the Experimental and Theoretical Analysis of Kinetic Isotope Effects
|
journal
|
December 2006 |
Ligand versus Metal Protonation of an Iron Hydrogenase Active Site Mimic
|
journal
|
August 2007 |
Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate
|
journal
|
November 2012 |
Iridium complexes bearing a PNP ligand, favoring facile C(sp3)–H bond cleavage
|
journal
|
January 2011 |
Valence-bond concepts in transition metals: metal hydride diatomic cations
|
journal
|
November 1990 |
Solvation Effects on Transition Metal Hydricity
|
journal
|
November 2015 |
Hydricities of d 6 Metal Hydride Complexes in Water
|
journal
|
March 2009 |
Aqueous Hydricity of Late Metal Catalysts as a Continuum Tuned by Ligands and the Medium
|
journal
|
February 2016 |
Free-Energy Relationships between the Proton and Hydride Donor Abilities of [HNi(diphosphine) 2 ] + Complexes and the Half-Wave Potentials of Their Conjugate Bases
|
journal
|
April 2001 |
Comprehensive Thermodynamic Characterization of the Metal−Hydrogen Bond in a Series of Cobalt-Hydride Complexes
|
journal
|
March 2002 |
HRh(dppb) 2 , a Powerful Hydride Donor
|
journal
|
October 2002 |
Hydricity of an Fe–H Species and Catalytic CO 2 Hydrogenation
|
journal
|
December 2014 |
Bond energies in solution from electrode potentials and thermochemical cycles. A simplified and general approach
|
journal
|
May 1993 |
Predicting the reactivity of hydride donors in water: thermodynamic constants for hydrogen
|
journal
|
January 2015 |
The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data
|
journal
|
October 1998 |
Standard Reduction Potentials for Oxygen and Carbon Dioxide Couples in Acetonitrile and N , N -Dimethylformamide
|
journal
|
December 2015 |
Thermodynamic and Kinetic Hydricity of Ruthenium(II) Hydride Complexes
|
journal
|
September 2012 |
[Mn(bipyridyl)(CO)3Br]: An Abundant Metal Carbonyl Complex as Efficient Electrocatalyst for CO2 Reduction
|
journal
|
September 2011 |