Powering the planet: Chemical challenges in solar energy utilization
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October 2006 |
Powering the planet with solar fuel
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April 2009 |
Hydrogen Production by Molecular Photocatalysis
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October 2007 |
Solar Energy Supply and Storage for the Legacy and Nonlegacy Worlds
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November 2010 |
Coulomb explosion during the early stages of the reaction of alkali metals with water
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January 2015 |
Structure/Function Relationships of [NiFe]- and [FeFe]-Hydrogenases
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October 2007 |
Hydrogenases
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March 2014 |
Investigating and Exploiting the Electrocatalytic Properties of Hydrogenases
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October 2007 |
Enzymes as Working or Inspirational Electrocatalysts for Fuel Cells and Electrolysis
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July 2008 |
Activation and Inactivation of Hydrogenase Function and the Catalytic Cycle: Spectroelectrochemical Studies
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October 2007 |
Structure–function relationships of nickel–iron sites in hydrogenase and a comparison with the active sites of other nickel–iron enzymes
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August 2005 |
Computational Studies of [NiFe] and [FeFe] Hydrogenases
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October 2007 |
Crystal structure of the nickel–iron hydrogenase from Desulfovibrio gigas
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February 1995 |
Structure of the [NiFe] Hydrogenase Active Site: Evidence for Biologically Uncommon Fe Ligands ⊥
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January 1996 |
X-ray Crystal Structure of the Fe-Only Hydrogenase (CpI) from Clostridium pasteurianum to 1.8 Angstrom Resolution
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December 1998 |
Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center
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January 1999 |
Structure-Function Relationships in [FeFe]-Hydrogenase Active Site Maturation
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March 2012 |
Crystallographic and FTIR Spectroscopic Evidence of Changes in Fe Coordination Upon Reduction of the Active Site of the Fe-Only Hydrogenase from Desulfovibrio d esulfuricans
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February 2001 |
Sulfonated Diiron Complexes as Water-Soluble Models of the [Fe–Fe]-Hydrogenase Enzyme Active Site
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June 2011 |
Mechanism of electrocatalytic hydrogen production by a di-iron model of iron–iron hydrogenase: A density functional theory study of proton dissociation constants and electrode reduction potentials
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January 2010 |
A Cyclodextrin Host/Guest Approach to a Hydrogenase Active Site Biomimetic Cavity
- Singleton, Michael L.; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.
-
Journal of the American Chemical Society, Vol. 132, Issue 26
https://doi.org/10.1021/ja103774j
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July 2010 |
A Mixed-Valent, Fe(II)Fe(I), Diiron Complex Reproduces the Unique Rotated State of the [FeFe]Hydrogenase Active Site
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June 2007 |
Fundamental properties of small molecule models of Fe-only hydrogenase: computations relative to the definition of an entatic state in the active site
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March 2003 |
Small molecule mimics of hydrogenases: hydrides and redox
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January 2009 |
Diiron Dithiolato Carbonyls Related to the H ox CO State of [FeFe]-Hydrogenase
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April 2008 |
Redox and Structural Properties of Mixed-Valence Models for the Active Site of the [FeFe]-Hydrogenase: Progress and Challenges
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August 2008 |
Aza- and Oxadithiolates Are Probable Proton Relays in Functional Models for the [FeFe]-Hydrogenases
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December 2008 |
Characterization of a Diferrous Terminal Hydride Mechanistically Relevant to the Fe-Only Hydrogenases
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November 2005 |
Synthetic and Structural Studies on [Fe 2 (SR) 2 (CN) x (CO) 6 - x ] x - as Active Site Models for Fe-Only Hydrogenases
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December 2001 |
Isolation of a Mixed Valence Diiron Hydride: Evidence for a Spectator Hydride in Hydrogen Evolution Catalysis
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February 2013 |
Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate
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November 2012 |
Mild Redox Complementation Enables H 2 Activation by [FeFe]-Hydrogenase Models
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June 2011 |
A Biomimetic Pathway for Hydrogen Evolution from a Model of the Iron Hydrogenase Active Site
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February 2004 |
Iron hydrogenase active site mimic holding a proton and a hydride
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January 2006 |
Ligand versus Metal Protonation of an Iron Hydrogenase Active Site Mimic
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August 2007 |
A Model of the [FeFe] Hydrogenase Active Site with a Biologically Relevant Azadithiolate Bridge: A Spectroscopic and Theoretical Investigation
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January 2011 |
Direct Observation of Key Catalytic Intermediates in a Photoinduced Proton Reduction Cycle with a Diiron Carbonyl Complex
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December 2014 |
Catalysis of the electrochemical H evolution by di-iron sub-site models
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August 2005 |
Electrochemical Insights into the Mechanisms of Proton Reduction by [Fe2(CO)6{μ-SCH2N(R)CH2S}] Complexes Related to the [2Fe]H Subsite of [FeFe]Hydrogenase
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February 2008 |
Electrochemical and Theoretical Investigations of the Role of the Appended Base on the Reduction of Protons by [Fe 2 (CO) 4 (κ 2 -PNP R )(μ-S(CH 2 ) 3 S] (PNP R ={Ph 2 PCH 2 } 2 NR, R=Me, Ph)
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July 2012 |
Chemistry and the hydrogenases
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January 2003 |
Iron-only hydrogenase: Synthetic, structural and reactivity studies of model compounds
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August 2005 |
Synthesis of the H-cluster framework of iron-only hydrogenase
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February 2005 |
Mechanistic aspects of the protonation of [FeFe]-hydrogenase subsite analogues
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January 2010 |
Production of hydrogen by electrocatalysis: making the H–H bond by combining protons and hydrides
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January 2014 |
Molecular Electrocatalysts for Oxidation of Hydrogen Using Earth-Abundant Metals: Shoving Protons Around with Proton Relays
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June 2015 |
Characterization of the first examples of isolable molecular hydrogen complexes, M(CO)3(PR3)2(H2) (M = molybdenum or tungsten; R = Cy or isopropyl). Evidence for a side-on bonded dihydrogen ligand
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January 1984 |
Molecular hydrogen complexes: coordination of a .sigma. bond to transition metals
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March 1988 |
Transition-metal polyhydride complexes
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July 1985 |
Transition metal polyhydride complexes: a theoretical view
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November 1994 |
Transition metal polyhydride complexes. 2. Theoretical methods for the determination of stabilities of classical and nonclassical isomers
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April 1992 |
Transition-metal polyhydride complexes. 3. Relative stabilities of classical and nonclassical isomers
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July 1992 |
Reactions of transition metal dihydrogen complexes
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December 1992 |
Molecular hydrogen complexes of the transition metals. 3. Evidence for a new complex, Mo(CO)(dppe)2(H2), and for solution equilibrium between dihydrogen and dihydride forms, M-.eta.2-H2 .dblarw. H-M-H, in M(CO)3(PR3)2(H2)
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journal
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March 1986 |
Molecular hydrogen complexes of the transition metals. 2. Preparation, structure, and reactivity of W(CO)3(PCy3)2 and W(CO)3(P-iso-Pr3)2, .eta.2-H2 complex precursors exhibiting metal.cntdot..cntdot..cntdot.hydrogen-carbon interaction
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journal
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April 1986 |
Molecular hydrogen complexes of the transition metals. 4. Preparation and characterization of M(CO)3(PR3)2(.eta.2-H2) (M = molybdenum, tungsten) and evidence for equilibrium dissociation of the H-H bond to give MH2(CO)3(PR3)2
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journal
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October 1986 |
Molecular hydrogen complexes. 6. The barrier to rotation of .eta.2-H2 in M(CO)3(PR3)2(.eta.2-H2) (M = tungsten, molybdenum; R = cyclohexyl, isopropyl): inelastic neutron scattering, theoretical, and molecular mechanics studies
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March 1990 |
Synthesis and properties of a series of ruthenium dihydrogen complexes
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journal
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September 1987 |
NMR properties of the complexes trans-[M(.eta.2-H2)(H)(PEt2CH2CH2PEt2)2]+ (M = Fe, Ru, Os). Intramolecular exchange of atoms between .eta.2-dihydrogen and hydride ligands
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journal
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June 1987 |
Dihydrogen complexes of ruthenium. 2. Kinetic and thermodynamic considerations affecting product distribution
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journal
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June 1990 |
Preparation and spectroscopic properties of the .eta.2-dihydrogen complexes [MH(.eta.2-H2)PR2CH2CH2PR2)2] + (M = iron, ruthenium; R = Ph, Et) and trends in properties down the iron group triad
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journal
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June 1991 |
Wide range of pKa values of coordinated dihydrogen. Synthesis and properties of some .eta.2-dihydrogen and dihydride complexes of ruthenium
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January 1991 |
Some molecular hydrogen complexes of iridium
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July 1986 |
Characterization of PtH3(PtBu3)2+ as the First Dihydrogen Complex of d8, Pt(II)
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August 1994 |
Preparation of a Dihydrogen Complex of Cobalt
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October 2010 |
Characterization of a Palladium Dihydrogen Complex
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March 2015 |
Mechanism of Heterolysis of H 2 by an Unsaturated d 8 Nickel Center: via Tetravalent Nickel?
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January 2010 |
Thermally stable N2 and H2 adducts of cationic nickel(ii)
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January 2012 |
Synthesis, Structure, and Reactivity of a Nickel Dihydrogen Complex
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journal
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November 2012 |
Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays
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January 2006 |
Nature of hydrogen interactions with Ni(II) complexes containing cyclic phosphine ligands with pendant nitrogen bases
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March 2007 |
Hydrogen oxidation catalysis by a nickel diphosphine complex with pendant tert-butyl amines
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January 2010 |
Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere
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June 2013 |
Parahydrogen-induced polarization: a new spin on reactions with molecular hydrogen
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April 1991 |
Observation of H2 oxidative addition to chlorocarbonylbis(triphenylphosphine)rhodium(I) using parahydrogen induced polarization
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journal
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June 1993 |
Observation of New Intermediates in Hydrogenation Catalyzed by Wilkinson's Catalyst, RhCl(PPh3)3, Using Parahydrogen-Induced Polarization
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November 1994 |
Parahydrogen induced polarization
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November 1997 |
The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes
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April 2012 |
Frustrated Lewis Pairs
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August 2015 |
Frustrated Lewis Pair Chemistry: Development and Perspectives
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May 2015 |
Frustrated Lewis Pairs: Metal-free Hydrogen Activation and More
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December 2009 |
Transition Metal Frustrated Lewis Pairs
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October 2013 |
Comment on “New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation”
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journal
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May 2011 |
Neutron structure and inelastic-neutron-scattering and theoretical studies of molybdenum complex Mo(CO)(H2)[(C6D5)2PC2H4P(C6D5)2]2.cntdot.4.5C6D6, a complex with an extremely low barrier to hydrogen rotation. Implications on the reaction coordinate for H-H cleavage to dihydride
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journal
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January 1993 |
Stabilization of Nickel Complexes with Ni 0 ···H–N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands
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December 2011 |
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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September 1988 |
Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen
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September 2011 |
Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation
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November 2013 |
Nuclear Magnetic Resonance Line-Shape and Double-Resonance Studies of Ring Inversion in Cyclohexane- d 11
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February 1967 |
Theoretical Design of Molecular Electrocatalysts with Flexible Pendant Amines for Hydrogen Production and Oxidation
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January 2013 |
Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production
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April 2012 |
Proton Delivery and Removal in [Ni(P R 2 N R ′ 2 ) 2 ] 2+ Hydrogen Production and Oxidation Catalysts
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November 2012 |
Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H 2 Production Electrocatalysts
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August 2015 |
[Ni(P Ph 2 N C6H4X 2 ) 2 ] 2+ Complexes as Electrocatalysts for H 2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates
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journal
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April 2011 |
Studies of a Series of [Ni(P R 2 N Ph 2 ) 2 (CH 3 CN)] 2+ Complexes as Electrocatalysts for H 2 Production: Substituent Variation at the Phosphorus Atom of the P 2 N 2 Ligand
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journal
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November 2011 |
[Ni(P Me 2 N Ph 2 ) 2 ](BF 4 ) 2 as an Electrocatalyst for H 2 Production
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March 2012 |
Production of H2 at fast rates using a nickel electrocatalyst in water–acetonitrile solutions
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journal
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January 2013 |
Evaluation of the Role of Water in the H 2 Bond Formation by Ni(II)-Based Electrocatalysts
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July 2013 |
Water-assisted proton delivery and removal in bio-inspired hydrogen production catalysts
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journal
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January 2015 |
Electrocatalytic H 2 production with a turnover frequency >10 7 s −1 : the medium provides an increase in rate but not overpotential
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January 2014 |
Proton-Coupled Electron Transfer
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November 2007 |
Proton-Coupled Electron Transfer
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October 1998 |
Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications
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December 2010 |
Proton-Coupled Electron Transfer
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April 2012 |
Theory of Coupled Electron and Proton Transfer Reactions
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December 2010 |
Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions
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January 2005 |
Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry †
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journal
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November 2008 |
Controlling proton movement: electrocatalytic oxidation of hydrogen by a nickel( ii ) complex containing proton relays in the second and outer coordination spheres
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journal
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January 2014 |
A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production
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journal
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August 2011 |
High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine
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journal
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February 2013 |
Reduction of oxygen catalyzed by nickel diphosphine complexes with positioned pendant amines
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journal
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January 2010 |
Thermodynamic Properties of the Ni−H Bond in Complexes of the Type [HNi(P 2 R N 2 R ‘ ) 2 ](BF 4 ) and Evaluation of Factors That Control Catalytic Activity for Hydrogen Oxidation/Production
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journal
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July 2007 |
Measurement of the Hydride Donor Abilities of [HM(diphosphine) 2 ] + Complexes (M = Ni, Pt) by Heterolytic Activation of Hydrogen
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journal
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March 2002 |
Bond energies in solution from electrode potentials and thermochemical cycles. A simplified and general approach
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journal
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May 1993 |
Calculated Hydride Donor Abilities of Five-Coordinate Transition Metal Hydrides [HM(diphosphine) 2 ] + (M = Ni, Pd, Pt) as a Function of the Bite Angle and Twist Angle of Diphosphine Ligands
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journal
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June 2008 |
Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations
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journal
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November 2011 |
Computing Free Energy Landscapes: Application to Ni-based Electrocatalysts with Pendant Amines for H 2 Production and Oxidation
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December 2013 |
Gaussian‐1 theory: A general procedure for prediction of molecular energies
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May 1989 |
Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges
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January 2012 |
Toward Molecular Catalysts by Computer
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January 2015 |
Kinetics and Mechanism of the Proton Transfer to Cp*Fe(dppe)H: Absence of a Direct Protonation at the Metal Site
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journal
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September 2003 |
Experimental and Computational Studies of Hydrogen Bonding and Proton Transfer to [Cp*Fe(dppe)H]
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journal
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December 2004 |
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
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journal
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December 2006 |
Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H 2
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journal
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March 2012 |
An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen
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journal
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February 2013 |
Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres
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journal
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March 2014 |
Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay
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January 2015 |