The Evolution and Future of Earth’s Nitrogen Cycle
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journal
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October 2010 |
An Earth-system perspective of the global nitrogen cycle
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journal
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January 2008 |
Vanadium Nitrogenase Reduces CO
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journal
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August 2010 |
Catalytic Synthesis of Ammonia—A “Never-Ending Story”?
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journal
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May 2003 |
A comprehensive mechanism for the Fischer-Tropsch synthesis
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journal
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October 1981 |
Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage
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journal
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January 2014 |
Mössbauer Study of the MoFe Protein of Nitrogenase from Azotobacter vinelandii Using Selective 57 Fe Enrichment of the M-Centers
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journal
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May 2000 |
The role of X-ray spectroscopy in understanding the geometric and electronic structure of nitrogenase
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journal
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June 2015 |
High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory
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journal
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January 2013 |
X-ray Magnetic Circular Dichroism Spectroscopy Applied to Nitrogenase and Related Models: Experimental Evidence for a Spin-Coupled Molybdenum(III) Center
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journal
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June 2019 |
Comparative electronic structures of nitrogenase FeMoco and FeVco
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journal
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January 2017 |
ENDOR and ESEEM of a Non-Kramers Doublet in an Integer-Spin System
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journal
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November 1994 |
Unification of reaction pathway and kinetic scheme for N2 reduction catalyzed by nitrogenase
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journal
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March 2012 |
Non-Kramers ESEEM of Integer-Spin Diferrous Carboxylate-Bridged Clusters in Proteins
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journal
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January 1997 |
Analysis of the Magnetic Properties of Nitrogenase FeMo Cofactor by Single-Crystal EPR Spectroscopy
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journal
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August 2013 |
Nitrogenase FeMoco investigated by spatially resolved anomalous dispersion refinement
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journal
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March 2016 |
Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge
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journal
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January 2017 |
Iron-Sulfur Clusters: Nature's Modular, Multipurpose Structures
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journal
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August 1997 |
Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters
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journal
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October 1995 |
QM/MM Study of the Nitrogenase MoFe Protein Resting State: Broken-Symmetry States, Protonation States, and QM Region Convergence in the FeMoco Active Site
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journal
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October 2017 |
Catalysis-dependent selenium incorporation and migration in the nitrogenase active site iron-molybdenum cofactor
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journal
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December 2015 |
Ligand binding to the FeMo-cofactor: Structures of CO-bound and reactivated nitrogenase
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journal
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September 2014 |
A seven-crystal Johann-type hard x-ray spectrometer at the Stanford Synchrotron Radiation Lightsource
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journal
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May 2013 |
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
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journal
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June 2005 |
Calibration of Scalar Relativistic Density Functional Theory for the Calculation of Sulfur K-Edge X-ray Absorption Spectra
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journal
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February 2010 |
Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra
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journal
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March 2008 |
Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling
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journal
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March 2009 |
The ORCA program system: The ORCA program system
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journal
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June 2011 |
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
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journal
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December 2003 |
Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids
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journal
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September 2003 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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journal
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April 2010 |
Effect of the damping function in dispersion corrected density functional theory
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journal
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March 2011 |
Relativistic regular two‐component Hamiltonians
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journal
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September 1993 |
Molecular density functional calculations in the regular relativistic approximation: Method, application to coinage metal diatomics, hydrides, fluorides and chlorides, and comparison with first-order relativistic calculations
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journal
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July 1998 |
All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms
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journal
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May 2008 |
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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journal
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January 2005 |
An overlap fitted chain of spheres exchange method
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journal
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October 2011 |
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
|
journal
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February 2009 |
X-ray Absorption and Emission Spectroscopic Studies of [L 2 Fe 2 S 2 ] n Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron–Sulfur Clusters
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journal
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April 2016 |
Ligand K-Edge X-ray Absorption Spectroscopy: A Direct Probe of Ligand−Metal Covalency
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journal
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December 2000 |
Ligand K-edge X-ray absorption spectroscopy: covalency of ligand–metal bonds
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journal
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January 2005 |
Sulfur K-Edge X-ray Absorption Spectroscopy and Density Functional Theory Calculations on Superoxide Reductase: Role of the Axial Thiolate in Reactivity
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journal
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October 2007 |
S K-edge XAS and DFT Calculations on Cytochrome P450: Covalent and Ionic Contributions to the Cysteine-Fe Bond and Their Contribution to Reactivity
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journal
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June 2009 |
S K-edge XAS and DFT Calculations on SAM Dependent Pyruvate Formate-Lyase Activating Enzyme: Nature of Interaction between the Fe 4 S 4 Cluster and SAM and its Role in Reactivity
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journal
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November 2011 |
Sulfur K-Edge XAS and DFT Calculations on [Fe 4 S 4 ] 2+ Clusters: Effects of H-bonding and Structural Distortion on Covalency and Spin Topology
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journal
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November 2005 |
S K-edge X-ray Absorption Studies of Tetranuclear Iron−Sulfur Clusters: μ -Sulfide Bonding and Its Contribution to Electron Delocalization
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journal
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January 2001 |
Sulfur K-Edge XAS Studies of the Effect of DNA Binding on the [Fe 4 S 4 ] Site in EndoIII and MutY
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journal
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August 2017 |
Solvation Effects on S K-Edge XAS Spectra of Fe−S Proteins: Normal and Inverse Effects on WT and Mutant Rubredoxin
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journal
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September 2010 |
Molybdenum L-Edge XAS Spectra of MoFe Nitrogenase: Molybdenum L-Edge XAS Spectra of MoFe Nitrogenase
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journal
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November 2014 |
New structural insights into the iron-molybdenum cofactor from Azotobacter vinelandii nitrogenase through sulfur K and molybdenum L x-ray absorption edge studies
|
journal
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June 1988 |
Electron transfer during selenium reduction by iron surfaces in aqueous solution: High resolution X-ray absorption study
|
journal
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November 2009 |
Natural widths of atomic K and L levels, K α X‐ray lines and several K L L Auger lines
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journal
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April 1979 |
X-ray absorption spectroscopy of selenium-containing amino acids
|
journal
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December 1999 |
High-Energy-Resolution Fluorescence-Detected X-ray Absorption of the Q Intermediate of Soluble Methane Monooxygenase
|
journal
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November 2017 |
Elimination of the inner-shell lifetime broadening in x-ray-absorption spectroscopy
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journal
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November 1991 |
A Practical Guide to High-resolution X-ray Spectroscopic Measurements and their Applications in Bioinorganic Chemistry
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journal
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July 2016 |
High-multiplicity spin states of 2[4Fe-4Se]+ clostridial ferredoxins
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journal
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January 1986 |
Ground spin state variability in [Fe4S4(SR)4]3-. Synthetic analogs of the reduced clusters in ferredoxins and other iron-sulfur proteins: cases of extreme sensitivity of electronic state and structure to extrinsic factors
|
journal
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August 1988 |
Iron-sulfur clusters in the molybdenum-iron protein component of nitrogenase. Electron paramagnetic resonance of the carbon monoxide inhibited state
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journal
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October 1979 |
Neutral diiron( iii ) complexes with Fe 2 (μ-E) 2 (E = O, S, Se) core structures: reactivity of an iron( i ) dimer towards chalcogens
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journal
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January 2015 |
From a Molecular 2Fe-2Se Precursor to a Highly Efficient Iron Diselenide Electrocatalyst for Overall Water Splitting
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journal
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July 2017 |
Comprehensive iron-selenium-thiolate cluster chemistry
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journal
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September 1991 |
Sulfur K-Edge X-ray Absorption Spectroscopy of 2Fe−2S Ferredoxin: Covalency of the Oxidized and Reduced 2Fe Forms and Comparison to Model Complexes
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journal
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June 2001 |
Roles of the Proximal Hydrogen Bonding Network in Cytochrome P450 c am -Catalyzed Oxygenation
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journal
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December 2002 |
Sulfur K-Edge XAS and DFT Calculations on P450 Model Complexes: Effects of Hydrogen Bonding on Electronic Structure and Redox Potentials
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journal
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August 2005 |
Role of the Invariant Peptide Fragment Forming NH···S Hydrogen Bonds in the Active Site of Cytochrome P-450 and Chloroperoxidase: Synthesis and Properties of Cys-Containing Peptide Fe(III) and Ga(III) (Octaethylporphinato) Complexes as Models
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journal
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March 1999 |
Positive shift of redox potential of [Fe4S4(Z-cys-Gly-Ala-OMe)4]2- in dichloromethane
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journal
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November 1983 |
Klebsiella pneumoniae nitrogenase. Mechanism of acetylene reduction and its inhibition by carbon monoxide
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journal
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December 1990 |
Investigation of CO Binding and Release from Mo-Nitrogenase during Catalytic Turnover †
|
journal
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June 1998 |
Photolysis of Hi-CO Nitrogenase - Observation of a Plethora of Distinct CO Species Using Infrared Spectroscopy
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journal
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March 2011 |
IR-Monitored Photolysis of CO-Inhibited Nitrogenase: A Major EPR-Silent Species with Coupled Terminal CO Ligands
|
journal
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November 2012 |
A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters
|
journal
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March 2018 |
X‐ray Magnetic Circular Dichroism Spectroscopy Applied to Nitrogenase and Related Models: Experimental Evidence for a Spin‐Coupled Molybdenum(III) Center
|
journal
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June 2019 |
Catalytic Synthesis of Ammonia—A “Never-Ending Story”?
|
journal
|
May 2003 |
Analysis of the Magnetic Properties of Nitrogenase FeMo Cofactor by Single-Crystal EPR Spectroscopy
|
journal
|
August 2013 |
IR-Monitored Photolysis of CO-Inhibited Nitrogenase: A Major EPR-Silent Species with Coupled Terminal CO Ligands
|
journal
|
November 2012 |
A Practical Guide to High-resolution X-ray Spectroscopic Measurements and their Applications in Bioinorganic Chemistry
|
journal
|
July 2016 |
Effect of the damping function in dispersion corrected density functional theory
|
journal
|
March 2011 |
X-ray absorption spectroscopy of selenium-containing amino acids
|
journal
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December 1999 |
Investigations on the E/Z-isomerism of neonicotinoids
|
journal
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July 2020 |
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
|
journal
|
February 2009 |
X-ray Absorption and Emission Spectroscopic Studies of [L 2 Fe 2 S 2 ] n Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron–Sulfur Clusters
|
journal
|
April 2016 |
QM/MM Study of the Nitrogenase MoFe Protein Resting State: Broken-Symmetry States, Protonation States, and QM Region Convergence in the FeMoco Active Site
|
journal
|
October 2017 |
Ligand K-Edge X-ray Absorption Spectroscopy: A Direct Probe of Ligand−Metal Covalency
|
journal
|
December 2000 |
Investigation of CO Binding and Release from Mo-Nitrogenase during Catalytic Turnover †
|
journal
|
June 1998 |
A comprehensive mechanism for the Fischer-Tropsch synthesis
|
journal
|
October 1981 |
Comprehensive iron-selenium-thiolate cluster chemistry
|
journal
|
September 1991 |
Sulfur K-Edge XAS and DFT Calculations on [Fe 4 S 4 ] 2+ Clusters: Effects of H-bonding and Structural Distortion on Covalency and Spin Topology
|
journal
|
November 2005 |
Role of the Invariant Peptide Fragment Forming NH···S Hydrogen Bonds in the Active Site of Cytochrome P-450 and Chloroperoxidase: Synthesis and Properties of Cys-Containing Peptide Fe(III) and Ga(III) (Octaethylporphinato) Complexes as Models
|
journal
|
March 1999 |
ENDOR and ESEEM of a Non-Kramers Doublet in an Integer-Spin System
|
journal
|
November 1994 |
S K-edge X-ray Absorption Studies of Tetranuclear Iron−Sulfur Clusters: μ -Sulfide Bonding and Its Contribution to Electron Delocalization
|
journal
|
January 2001 |
New structural insights into the iron-molybdenum cofactor from Azotobacter vinelandii nitrogenase through sulfur K and molybdenum L x-ray absorption edge studies
|
journal
|
June 1988 |
Ground spin state variability in [Fe4S4(SR)4]3-. Synthetic analogs of the reduced clusters in ferredoxins and other iron-sulfur proteins: cases of extreme sensitivity of electronic state and structure to extrinsic factors
|
journal
|
August 1988 |
Positive shift of redox potential of [Fe4S4(Z-cys-Gly-Ala-OMe)4]2- in dichloromethane
|
journal
|
November 1983 |
Sulfur K-Edge X-ray Absorption Spectroscopy of 2Fe−2S Ferredoxin: Covalency of the Oxidized and Reduced 2Fe Forms and Comparison to Model Complexes
|
journal
|
June 2001 |
Roles of the Proximal Hydrogen Bonding Network in Cytochrome P450 c am -Catalyzed Oxygenation
|
journal
|
December 2002 |
Sulfur K-Edge XAS and DFT Calculations on P450 Model Complexes: Effects of Hydrogen Bonding on Electronic Structure and Redox Potentials
|
journal
|
August 2005 |
Sulfur K-Edge X-ray Absorption Spectroscopy and Density Functional Theory Calculations on Superoxide Reductase: Role of the Axial Thiolate in Reactivity
|
journal
|
October 2007 |
Solvation Effects on S K-Edge XAS Spectra of Fe−S Proteins: Normal and Inverse Effects on WT and Mutant Rubredoxin
|
journal
|
September 2010 |
S K-edge XAS and DFT Calculations on SAM Dependent Pyruvate Formate-Lyase Activating Enzyme: Nature of Interaction between the Fe 4 S 4 Cluster and SAM and its Role in Reactivity
|
journal
|
November 2011 |
S K-edge XAS and DFT Calculations on Cytochrome P450: Covalent and Ionic Contributions to the Cysteine-Fe Bond and Their Contribution to Reactivity
|
journal
|
June 2009 |
High-Energy-Resolution Fluorescence-Detected X-ray Absorption of the Q Intermediate of Soluble Methane Monooxygenase
|
journal
|
November 2017 |
A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters
|
journal
|
March 2018 |
Nitrogenase FeMoco investigated by spatially resolved anomalous dispersion refinement
|
journal
|
March 2016 |
A hydrogen-dependent geochemical analogue of primordial carbon and energy metabolism
|
journal
|
March 2020 |
High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory
|
journal
|
January 2013 |
Klebsiella pneumoniae nitrogenase. Mechanism of acetylene reduction and its inhibition by carbon monoxide
|
journal
|
December 1990 |
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
|
journal
|
December 2003 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
|
journal
|
April 2010 |
An overlap fitted chain of spheres exchange method
|
journal
|
October 2011 |
Relativistic regular two‐component Hamiltonians
|
journal
|
September 1993 |
Molecular density functional calculations in the regular relativistic approximation: Method, application to coinage metal diatomics, hydrides, fluorides and chlorides, and comparison with first-order relativistic calculations
|
journal
|
July 1998 |
A seven-crystal Johann-type hard x-ray spectrometer at the Stanford Synchrotron Radiation Lightsource
|
journal
|
May 2013 |
Natural widths of atomic K and L levels, K α X‐ray lines and several K L L Auger lines
|
journal
|
April 1979 |
Unification of reaction pathway and kinetic scheme for N2 reduction catalyzed by nitrogenase
|
journal
|
March 2012 |
Electron transfer during selenium reduction by iron surfaces in aqueous solution: High resolution X-ray absorption study
|
journal
|
November 2009 |
Vanadium Nitrogenase Reduces CO
|
journal
|
August 2010 |
Ligand binding to the FeMo-cofactor: Structures of CO-bound and reactivated nitrogenase
|
journal
|
September 2014 |
Iron-Sulfur Clusters: Nature's Modular, Multipurpose Structures
|
journal
|
August 1997 |
Waltzing around cofactors
|
journal
|
February 2016 |