Mechanism of Molybdenum Nitrogenase
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January 1996 |
Duplication and extension of the Thorneley and Lowe kinetic model for Klebsiella pneumoniae nitrogenase catalysis using a mathematica software platform
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July 2001 |
A Confirmation of the Quench-Cryoannealing Relaxation Protocol for Identifying Reduction States of Freeze-Trapped Nitrogenase Intermediates
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March 2014 |
Hydride Conformers of the Nitrogenase FeMo-cofactor Two-Electron Reduced State E 2 (2H), Assigned Using Cryogenic Intra Electron Paramagnetic Resonance Cavity Photolysis
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March 2018 |
Reduction of Substrates by Nitrogenases
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March 2020 |
Evidence for Interstitial Carbon in Nitrogenase FeMo Cofactor
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November 2011 |
Cementite
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January 2019 |
The Interstitial Carbon of the Nitrogenase FeMo Cofactor is Far Better Stabilized than Previously Assumed
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May 2017 |
A Terminal N 2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field
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July 2015 |
Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage
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January 2014 |
57 Fe ENDOR Spectroscopy and ‘Electron Inventory’ Analysis of the Nitrogenase E 4 Intermediate Suggest the Metal-Ion Core of FeMo-Cofactor Cycles Through Only One Redox Couple
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November 2011 |
Electron Redistribution within the Nitrogenase Active Site FeMo-Cofactor During Reductive Elimination of H 2 to Achieve N≡N Triple-Bond Activation
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December 2020 |
Exploring the Role of the Central Carbide of the Nitrogenase Active-Site FeMo-cofactor through Targeted 13C Labeling and ENDOR Spectroscopy
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June 2021 |
Testing if the Interstitial Atom, X , of the Nitrogenase Molybdenum−Iron Cofactor Is N or C: ENDOR, ESEEM, and DFT Studies of the S = 3 / 2 Resting State in Multiple Environments
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December 2007 |
Iron-sulfur clusters in the molybdenum-iron protein component of nitrogenase. Electron paramagnetic resonance of the carbon monoxide inhibited state
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October 1979 |
Structural Characterization of Two CO Molecules Bound to the Nitrogenase Active Site
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January 2021 |
Substrate Interaction at an Iron-Sulfur Face of the FeMo-cofactor during Nitrogenase Catalysis
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October 2004 |
Trapping H - Bound to the Nitrogenase FeMo-Cofactor Active Site during H 2 Evolution: Characterization by ENDOR Spectroscopy
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May 2005 |
Connecting nitrogenase intermediates with the kinetic scheme for N2 reduction by a relaxation protocol and identification of the N2 binding state
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January 2007 |
High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E 4 (4H)
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June 2019 |
Reversible Photoinduced Reductive Elimination of H 2 from the Nitrogenase Dihydride State, the E 4 (4H) Janus Intermediate
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January 2016 |
An Organometallic Intermediate during Alkyne Reduction by Nitrogenase
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August 2004 |
Localization of a Catalytic Intermediate Bound to the FeMo-cofactor of Nitrogenase
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June 2004 |
Localization of a Substrate Binding Site on the FeMo-Cofactor in Nitrogenase: Trapping Propargyl Alcohol with an α-70-Substituted MoFe Protein †
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August 2003 |
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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September 1988 |
What Is the Structure of the E 4 Intermediate in Nitrogenase?
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January 2020 |
The E
2
state of FeMoco: Hydride Formation versus Fe Reduction and a Mechanism for H
2
Evolution
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October 2021 |
Nitrogenase: A Draft Mechanism
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December 2012 |
Photoinduced Reductive Elimination of H 2 from the Nitrogenase Dihydride (Janus) State Involves a FeMo-cofactor-H 2 Intermediate
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February 2017 |
Catalytic and Biophysical Properties of a Nitrogenase Apo-MoFe Protein Produced by a n ifB -Deletion Mutant of Azotobacter v inelandii †
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September 1998 |
ENDOR of Metalloenzymes
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July 2003 |
Simulating Suppression Effects in Pulsed ENDOR, and the ‘Hole in the Middle’ of Mims and Davies ENDOR Spectra
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November 2009 |
Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N 2 reduction
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October 2018 |
Substrate Channel in Nitrogenase Revealed by a Molecular Dynamics Approach
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April 2014 |
Density-functional exchange-energy approximation with correct asymptotic behavior
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September 1988 |
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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June 1986 |
Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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November 1986 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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November 1994 |
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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January 2005 |
Energy‐adjusted a b i n i t i o pseudopotentials for the rare earth elements
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February 1989 |
A model for dinitrogen binding in the E 4 state of nitrogenase
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January 2019 |
Extremely large differences in DFT energies for nitrogenase models
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January 2019 |
Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand
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February 2022 |
The ORCA program system: The ORCA program system
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June 2011 |
Iron-57 hyperfine coupling tensors of the FeMo cluster in Azotobacter vinelandii MoFe protein: determination by polycrystalline ENDOR spectroscopy
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March 1988 |
Analysis of the Magnetic Properties of Nitrogenase FeMo Cofactor by Single-Crystal EPR Spectroscopy
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August 2013 |
Is Mo Involved in Hydride Binding by the Four-Electron Reduced (E 4 ) Intermediate of the Nitrogenase MoFe Protein?
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March 2010 |
Investigation of CO Binding and Release from Mo-Nitrogenase during Catalytic Turnover †
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June 1998 |
Combining steady-state and dynamic methods for determining absolute signs of hyperfine interactions: Pulsed ENDOR Saturation and Recovery (PESTRE)
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January 2011 |
A bound reaction intermediate sheds light on the mechanism of nitrogenase
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March 2018 |
The Critical E 4 State of Nitrogenase Catalysis
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July 2018 |
Ligand-Bound S = 1 / 2 FeMo-Cofactor of Nitrogenase: Hyperfine Interaction Analysis and Implication for the Central Ligand X Identity
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July 2008 |
Analysis of the 57Fe Hyperfine Coupling Constants and Spin States in Nitrogenase P-Clusters
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October 1994 |
Time-Resolved EPR Study of H2 Reductive Elimination from the Photoexcited Nitrogenase Janus E4(4H) Intermediate
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September 2019 |
Structural Enzymology of Nitrogenase Enzymes
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June 2020 |