Mechanistic insights into hydride transfer for catalytic hydrogenation of CO 2 with cobalt complexes
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January 2014 |
Catalytic Turnover of [FeFe]-Hydrogenase Based on Single-Molecule Imaging
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October 2011 |
Universal Solvation Model Based on the Generalized Born Approximation with Asymmetric Descreening
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August 2009 |
Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H⋅⋅⋅H-N Dihydrogen Bond Characterized by Neutron Diffraction
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April 2014 |
Catalysis of chemical reactions by electrodes
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September 1980 |
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June 2012 |
Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres
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March 2014 |
Dihydrogen Bonding: Structures, Energetics, and Dynamics
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July 2001 |
OLEX2 : a complete structure solution, refinement and analysis program
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January 2009 |
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
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August 1992 |
Toward Molecular Catalysts by Computer
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January 2015 |
Beyond the Active Site: The Impact of the Outer Coordination Sphere on Electrocatalysts for Hydrogen Production and Oxidation
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June 2014 |
Structure-Function Relationships in [FeFe]-Hydrogenase Active Site Maturation
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March 2012 |
Development of Molecular Electrocatalysts for Energy Storage
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February 2014 |
A modular, energy-based approach to the development of nickel containing molecular electrocatalysts for hydrogen production and oxidation
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August 2013 |
Complexes of earth-abundant metals for catalytic electrochemical hydrogen generation under aqueous conditions
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January 2013 |
Catalysts made of earth-abundant elements (Co, Ni, Fe) for water splitting: Recent progress and future challenges
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January 2012 |
Properties of Bases in Acetonitrile as Solvent. IV. Proton Acceptor Power and Homoconjugation of Mono- and Diamines
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November 1965 |
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February 1997 |
A short history of SHELX
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Combining acid–base, redox and substrate binding functionalities to give a complete model for the [FeFe]-hydrogenase
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October 2011 |
Determining the Overpotential for a Molecular Electrocatalyst
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December 2013 |
A Functional [NiFe]Hydrogenase Mimic That Catalyzes Electron and Hydride Transfer from H2
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February 2013 |
Will Solar-Driven Water-Splitting Devices See the Light of Day?
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September 2013 |
An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen
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February 2013 |
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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June 1986 |
Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine
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June 2012 |
p K a Measurements of P(RNCH 2 CH 3 ) 3 N
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August 2000 |
Production of hydrogen by electrocatalysis: making the H–H bond by combining protons and hydrides
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January 2014 |
Energy-adjustedab initio pseudopotentials for the second and third row transition elements
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January 1990 |
Preparation, Facile Deprotonation, and Rapid H/D Exchange of the μ-Hydride Diiron Model Complexes of the [FeFe]-Hydrogenase Containing a Pendant Amine in a Chelating Diphosphine Ligand
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December 2009 |
Basicity of substituted 2-phenyl-1,1,3,3- tetramethylguanidines and other bases in acetonitrile solvent
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April 1989 |
Theory of Stationary Electrode Polarography. Single Scan and Cyclic Methods Applied to Reversible, Irreversible, and Kinetic Systems.
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April 1964 |
Small molecule mimics of hydrogenases: hydrides and redox
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January 2009 |
Structural and Functional Analogues of the Active Sites of the [Fe]-, [NiFe]-, and [FeFe]-Hydrogenases †
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June 2009 |
Catalytic Activation of H 2 under Mild Conditions by an [FeFe]-Hydrogenase Model via an Active μ-Hydride Species
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September 2013 |
Hydrogenases
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March 2014 |
Merging the old with the new
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December 2011 |
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 |
Homogeneous Ni Catalysts for H 2 Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree−Fock Correlated Wave-Function Theory
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December 2010 |
Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H⋅⋅⋅H-N Dihydrogen Bond Characterized by Neutron Diffraction
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April 2014 |