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Mechanism of H
2
Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides
Olbelina A. Ulloa
, Mioy T. Huynh
, Casseday P. Richers
, Jeffery A. Bertke
, Mark J. Nilges
, Sharon Hammes-Schiffer
,
Thomas B. Rauchfuss
Chemistry
Institute for Sustainability, Energy, and Environment
Center for Advanced Study
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2
Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides'. Together they form a unique fingerprint.
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Keyphrases
H2 Production
100%
Hydrides
100%
NiFe Hydrogenase
100%
Protonation
100%
Hydrogen Evolution
75%
Density Functional Calculations
50%
Fe(II)
50%
Metal Hydride
50%
Spin Density
25%
H2 Evolution
25%
Hydrogen Bonds (H-bonds)
25%
Thermodynamics
25%
Sulfur
25%
Delocalization
25%
Bimetallic
25%
Computational Study
25%
Redox State
25%
First-order
25%
Stereochemistry
25%
EPR Spectroscopy
25%
Acetylene
25%
Iron-nickel Alloy
25%
NiFe
25%
Dihydrogen Complexes
25%
Fe Sites
25%
Iron Hydride
25%
Fe(II) Complex
25%
Reductive Activation
25%
Chemistry
Hydrogenase
100%
protonation
100%
Hydrogen
75%
Metal Hydride
75%
Density Functional Theory
50%
Spectroscopy
25%
Dihydrogen
25%
EPR Spectroscopy
25%
Redox State
25%
Stereochemistry
25%
Iron Complex
25%
Iron Hydride
25%