Nickel and the carbon cycle
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journal
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November 2007 |
When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase
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January 2016 |
Carbon Dioxide Activation at the Ni,Fe-Cluster of Anaerobic Carbon Monoxide Dehydrogenase
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November 2007 |
Methyl (Alkyl)-Coenzyme M Reductases: Nickel F-430-Containing Enzymes Involved in Anaerobic Methane Formation and in Anaerobic Oxidation of Methane or of Short Chain Alkanes
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journal
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April 2019 |
Detection of Organometallic and Radical Intermediates in the Catalytic Mechanism of Methyl-Coenzyme M Reductase Using the Natural Substrate Methyl-Coenzyme M and a Coenzyme B Substrate Analogue
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journal
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December 2010 |
Biochemical and Spectroscopic Studies of the Electronic Structure and Reactivity of a Methyl−Ni Species Formed on Methyl-Coenzyme M Reductase
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September 2007 |
Nickel Oxidation States of F 430 Cofactor in Methyl-Coenzyme M Reductase
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journal
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April 2004 |
Formation of a Nickel−Methyl Species in Methyl-Coenzyme M Reductase, an Enzyme Catalyzing Methane Formation
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journal
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September 2007 |
A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase
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July 2015 |
Structural Studies of the Carbon Monoxide Complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: Suggestion for the Initial Activation Site for Dihydrogen
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journal
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October 2002 |
[NiFe] hydrogenases: A common active site for hydrogen metabolism under diverse conditions
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journal
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August 2013 |
Inhibition of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F by carbon monoxide: An FTIR and EPR spectroscopic study
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February 2010 |
The Metal Drives the Chemistry: Dual Functions of Acireductone Dioxygenase
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July 2017 |
Nickel-based Enzyme Systems
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journal
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April 2009 |
Nickel-dependent metalloenzymes
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journal
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February 2014 |
A Ni-Fe-Cu Center in a Bifunctional Carbon Monoxide Dehydrogenase/ Acetyl-CoA Synthase
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journal
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October 2002 |
Xenon in and at the End of the Tunnel of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase † , ‡
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journal
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March 2008 |
Crystal Structure of a Carbon Monoxide Dehydrogenase Reveals a [Ni-4Fe-5S] Cluster
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journal
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August 2001 |
Structure, Function, and Mechanism of the Nickel Metalloenzymes, CO Dehydrogenase, and Acetyl-CoA Synthase
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journal
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February 2014 |
Nature of the C-Cluster in Ni-Containing Carbon Monoxide Dehydrogenases
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journal
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January 1996 |
Rapid and Efficient Electrocatalytic CO 2 /CO Interconversions by Carboxydothermus hydrogenoformans CO Dehydrogenase I on an Electrode
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journal
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August 2007 |
The Tunnel of Acetyl-Coenzyme A Synthase/Carbon Monoxide Dehydrogenase Regulates Delivery of CO to the Active Site
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journal
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March 2005 |
Substrate and cofactor reactivity of a carbon monoxide dehydrogenase-corrinoid enzyme complex: Stepwise reduction of iron-sulfur and corrinoid centers, the corrinoid cobalt(2+/1+) redox midpoint potential, and overall synthesis of acetyl-CoA
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journal
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October 1993 |
Methylation of Carbon Monoxide Dehydrogenase from Clostridium thermoaceticum and Mechanism of Acetyl Coenzyme A Synthesis
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journal
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April 1997 |
Kinetic Mechanism of Acetyl-CoA Synthase: Steady-State Synthesis at Variable CO/CO 2 Pressures
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journal
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April 2001 |
X-ray Absorption Spectroscopy Reveals an Organometallic Ni–C Bond in the CO-Treated Form of Acetyl-CoA Synthase
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journal
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February 2017 |
Characterization of the nickel-iron-carbon complex formed by reaction of carbon monoxide with the carbon monoxide dehydrogenase from Clostridium thermoaceticum by Q-band ENDOR
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journal
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January 1991 |
The Organometallic Chemistry of the Transition Metals
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book
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March 2014 |
The metalloclusters of carbon monoxide dehydrogenase/acetyl-CoA synthase: a story in pictures
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journal
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June 2004 |
Visualizing molecular juggling within a B12-dependent methyltransferase complex
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journal
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March 2012 |
Structural insights into methyltransfer reactions of a corrinoid iron-sulfur protein involved in acetyl-CoA synthesis
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journal
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September 2006 |
Stopped-Flow Kinetics of Methyl Group Transfer between the Corrinoid-Iron-Sulfur Protein and Acetyl-Coenzyme A Synthase from Clostridium t hermoaceticum
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journal
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May 2002 |
Reduction and Methyl Transfer Kinetics of the α Subunit from Acetyl Coenzyme A Synthase
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journal
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December 2002 |
Acetyl-coenzyme A synthase: the case for a Nip0-based mechanism of catalysis
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journal
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June 2004 |
Structural and reaction chemistry of nickel complexes in relation to carbon monoxide dehydrogenase: a reaction system simulating acetyl-coenzyme A synthase activity
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journal
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October 1991 |
Dinuclear nickel complexes modeling the structure and function of the acetyl CoA synthase active site
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journal
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July 2009 |
A dinuclear nickel complex modeling of the Nid(ii)-Nip(i) state of the active site of acetyl CoA synthase
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journal
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January 2010 |
De Novo Design of Four-Helix Bundle Metalloproteins: One Scaffold, Diverse Reactivities
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journal
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April 2019 |
A designed heme-[4Fe-4S] metalloenzyme catalyzes sulfite reduction like the native enzyme
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journal
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September 2018 |
Why copper is preferred over iron for oxygen activation and reduction in haem-copper oxidases
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journal
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November 2016 |
Protein Scaffold Activates Catalytic CO 2 Hydrogenation by a Rhodium Bis(diphosphine) Complex
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journal
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November 2018 |
Nickel-Substituted Rubredoxin as a Minimal Enzyme Model for Hydrogenase
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journal
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August 2015 |
Going beyond Structure: Nickel-Substituted Rubredoxin as a Mechanistic Model for the [NiFe] Hydrogenases
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journal
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July 2018 |
Artificial metalloenzymes derived from three-helix bundles
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journal
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April 2015 |
Electrochemical, Spectroscopic, and Density Functional Theory Characterization of Redox Activity in Nickel-Substituted Azurin: A Model for Acetyl-CoA Synthase
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journal
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August 2015 |
Multielectron Chemistry within a Model Nickel Metalloprotein: Mechanistic Implications for Acetyl-CoA Synthase
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journal
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July 2017 |
A Biochemical Nickel(I) State Supports Nucleophilic Alkyl Addition: A Roadmap for Methyl Reactivity in Acetyl Coenzyme A Synthase
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journal
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February 2019 |
From Widely Accepted Concepts in Coordination Chemistry to Inverted Ligand Fields
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journal
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June 2016 |
Spectroscopic Evidence for a 3d 10 Ground State Electronic Configuration and Ligand Field Inversion in [Cu(CF 3 ) 4 ] 1–
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journal
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February 2016 |
The Myth of d 8 Copper(III)
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journal
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October 2019 |
Flipping the Oxidation State Formalism: Charge Distribution in Organometallic Complexes As Reported by Carbon Monoxide
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journal
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January 2017 |
Elusiveness of CuIII Complexation; Preference for Trifluoromethyl Oxidation in the Formation of[CuI(CF3)4]− Salts
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journal
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January 1995 |
Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal–ligand interactions
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January 2015 |
σ‐Noninnocence: Masked Phenyl‐Cation Transfer at Formal Ni IV
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journal
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July 2019 |
Metal–thiolate bonds in bioinorganic chemistry
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January 2006 |
Electronic structure of [Ni(II)S4] complexes from S K-edge X-ray absorption spectroscopy
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January 2013 |
The electronic properties and stereochemistry of mono-nuclear complexes of the copper(II) ion
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July 1970 |
Atomic parameters for paramagnetic resonance data
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June 1978 |
Theory of anisotropic hyperfine interactions in π -electron radicals
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April 1959 |
35 GHz ENDOR Characterization of the “Very Rapid” Signal of Xanthine Oxidase Reacted with 2-Hydroxy-6-methylpurine ( 13 C8): Evidence against Direct Mo−C8 Interaction
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journal
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March 2001 |
Why Nature Uses Radical SAM Enzymes so Widely: Electron Nuclear Double Resonance Studies of Lysine 2,3-Aminomutase Show the 5′-dAdo• “Free Radical” Is Never Free
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journal
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May 2015 |
Germanium Hydride Radical Trapped during the Photolysis/Thermolysis of Diarylgermylene
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journal
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October 2019 |
Nitric Oxide Synthase Stabilizes the Tetrahydrobiopterin Cofactor Radical by Controlling Its Protonation State
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journal
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July 2010 |
Probing the Iron−Substrate Orientation for Taurine/α-Ketoglutarate Dioxygenase Using Deuterium Electron Spin Echo Envelope Modulation Spectroscopy †
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journal
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May 2007 |
Spectroscopic studies of stellacyanin, plastocyanin, and azurin. Electronic structure of the blue copper sites
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journal
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January 1980 |
Electronic structures of active sites in copper proteins: contributions to reactivity
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journal
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June 1992 |
Spectroscopic Methods in Bioinorganic Chemistry: Blue to Green to Red Copper Sites
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journal
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October 2006 |
General Analysis of 14N (I = 1) Electron Spin Echo Envelope Modulation
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journal
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September 1999 |
Multifrequency electron spin-echo envelope modulation studies of nitrogen ligation to the manganese cluster of photosystem II
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journal
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October 2007 |
Electron spin echo envelope modulation (ESEEM) spectroscopy as a tool to investigate the coordination environment of metal centers
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journal
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July 2000 |
Electron Spin−Echo Envelope Modulation Spectrum of Azurin at X-Band
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journal
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May 1998 |
An ENDOR and ESEEM study of the blue copper protein azurin
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journal
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March 1995 |
Ligand spin densities in blue copper proteins by q-band proton and nitrogen-14 ENDOR spectroscopy
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journal
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February 1991 |
Two-Dimensional Pulsed EPR Spectroscopy of the Copper Protein Azurin
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journal
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January 1996 |
Thiolate Spin Population of Type I Copper in Azurin Derived from 33 S Hyperfine Coupling
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journal
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May 2017 |
Atomic hydrogen as high-precision field standard for high-field EPR
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journal
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November 2010 |
A perspective on applications of ligand-field analysis: inspiration from electron paramagnetic resonance spectroscopy of coordination complexes of transition metal ions
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January 2006 |
Theoretical Study of Ligand Superhyperfine Structure. Application to Cu(II) Complexes
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journal
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April 2001 |
Metal and ligand hyperfine couplings in transition metal complexes: The effect of spin–orbit coupling as studied by coupled perturbed Kohn–Sham theory
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journal
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March 2003 |
Mechanisms of EPR Hyperfine Coupling in Transition Metal Complexes
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journal
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November 2000 |
Lessons from the Spin-Polarization/Spin-Contamination Dilemma of Transition-Metal Hyperfine Couplings for the Construction of Exchange-Correlation Functionals
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journal
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October 2018 |
DFT Analysis of g and 13 C Hyperfine Coupling Tensors for Model Ni I (CO) n L m ( n = 1−4, L = H 2 O, OH − ) Complexes Epitomizing Surface Nickel(I) Carbonyls
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journal
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November 2008 |
σ-Acceptor, Z-type ligands for transition metals
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journal
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January 2011 |
Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity
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journal
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April 1999 |
Mononuclear nickel(ii)-superoxo and nickel(iii)-peroxo complexes bearing a common macrocyclic TMC ligand
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journal
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January 2013 |
Spectroscopic capture and reactivity of S = 1/2 nickel(iii)–oxygen intermediates in the reaction of a NiII-salt with mCPBA
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journal
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January 2012 |
Synthesis, structure, spectroscopy and redox chemistry of square-planar nickel(ii) complexes with tetradentate o-phenylenedioxamidates and related ligands
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journal
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January 2005 |
A Multinuclear ENDOR Study of the C-Cluster in CO Dehydrogenase from Clostridium thermoaceticum : Evidence for H x O and Histidine Coordination to the [Fe 4 S 4 ] Center
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journal
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September 1998 |
CO Binding to the FeMo Cofactor of CO-Inhibited Nitrogenase: 13 CO and 1 H Q-Band ENDOR Investigation
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journal
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October 1997 |
Spin distribution of the H-cluster in the Hox–CO state of the [FeFe] hydrogenase from Desulfovibrio desulfuricans: HYSCORE and ENDOR study of 14N and 13C nuclear interactions
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journal
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November 2008 |
The Electronic Structure of the H-Cluster in the [FeFe]-Hydrogenase from Desulfovibrio desulfuricans : A Q-band 57 Fe-ENDOR and HYSCORE Study
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journal
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September 2007 |
The Homogeneous Reduction of CO 2 by [Ni(cyclam)] + : Increased Catalytic Rates with the Addition of a CO Scavenger
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journal
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March 2015 |
Carbon dioxide activation by cobalt(I) macrocycles: factors affecting carbon dioxide and carbon monoxide binding
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journal
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January 1991 |
EXAFS studies of nickel(II), nickel(I), and Ni(I)-CO tetraazamacrocycles and the crystal structure of (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(I) perchlorate
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journal
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January 1991 |
EPR and Infrared Spectroscopic Evidence That a Kinetically Competent Paramagnetic Intermediate is Formed When Acetyl-Coenzyme A Synthase Reacts with CO
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journal
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September 2005 |
Evaluation of CO Coordination Energies from Spectroscopic Data: On the Use of Vibrational Isotopic Effects
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journal
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June 2008 |
Structure and Bonding of the Isoelectronic Hexacarbonyls [Hf(CO) 6 ] 2- , [Ta(CO) 6 ] - , W(CO) 6 , [Re(CO) 6 ] + , [Os(CO) 6 ] 2+ , and [Ir(CO) 6 ] 3+ : A Theoretical Study 1
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journal
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October 1997 |
Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls
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journal
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January 2020 |
Spectroscopic and Computational Studies of a Ni + −CO Model Complex: Implications for the Acetyl-CoA Synthase Catalytic Mechanism
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journal
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January 2003 |
Tight Coupling of Partial Reactions in the Acetyl-CoA Decarbonylase/Synthase (ACDS) Multienzyme Complex from Methanosarcina thermophila : ACETYL C–C BOND FRAGMENTATION AT THE A CLUSTER PROMOTED BY PROTEIN CONFORMATIONAL CHANGES
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journal
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March 2010 |
Deduction of the geometry of the methyl anion from a potential function calculation on the corresponding photoelectron spectrum
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June 1986 |
Experimental Correlation of Substrate Position with Reaction Outcome in the Aliphatic Halogenase, SyrB2
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journal
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May 2015 |
Geometric and Electronic Structures of the Ni I and Methyl−Ni III Intermediates of Methyl-Coenzyme M Reductase †
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journal
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April 2009 |
A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition
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journal
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October 2013 |
Mononuclear Ni III −Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase
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journal
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July 2010 |
Terminal Iron Dinitrogen and Iron Imide Complexes Supported by a Tris(phosphino)borane Ligand
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journal
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January 2011 |
Experimental X-ray Electron Density Study of Atomic Charges, Oxidation States, and Inverted Ligand Field in Cu(CF 3 ) 4 –
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journal
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January 2019 |
Mechanism of Trifluoromethylation of Aryl Halides with CuCF 3 and the Ortho Effect
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journal
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September 2014 |
Csp 3 –Csp 3 Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes
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journal
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January 2019 |
Organofluorine chemistry: applications, sources and sustainability
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journal
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January 2015 |
Addition of CF 3 across unsaturated moieties: a powerful functionalization tool
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journal
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January 2014 |
Design, synthesis, and carbon-heteroatom coupling reactions of organometallic nickel(IV) complexes
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journal
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February 2015 |
Nickel Oxidation States and Spin States of Bioinorganic Complexes from Nickel L-edge X-ray Absorption and Resonant Inelastic X-ray Scattering
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journal
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November 2013 |
Copper L-edge spectral studies: a direct experimental probe of the ground-state covalency in the blue copper site in plastocyanin
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April 1993 |
Electronic Spectra of Iron–Sulfur Complexes Measured by 2p3d RIXS Spectroscopy
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May 2018 |
Electronic Structure of Ni Complexes by X-ray Resonance Raman Spectroscopy (Resonant Inelastic X-ray Scattering)
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journal
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August 2002 |
K- and L-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) determination of differential orbital covalency (DOC) of transition metal sites
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journal
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August 2017 |
On the Assignment of Nickel Oxidation States of the Ox1, Ox2 Forms of Methyl−Coenzyme M Reductase
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journal
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December 1999 |
Impact of Oxidation State on Reactivity and Selectivity Differences between Nickel(III) and Nickel(IV) Alkyl Complexes
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journal
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May 2019 |
Spin Density and Coenzyme M Coordination Geometry of the ox1 Form of Methyl-Coenzyme M Reductase: A Pulse EPR Study
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journal
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December 2005 |
Pulse-Chase Studies of the Synthesis of Acetyl-CoA by Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
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journal
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March 2008 |
Infrared and EPR Spectroscopic Characterization of a Ni(I) Species Formed by Photolysis of a Catalytically Competent Ni(I)-CO Intermediate in the Acetyl-CoA Synthase Reaction
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journal
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August 2010 |
Computational Studies on the A Cluster of Acetyl-Coenzyme A Synthase: Geometric and Electronic Properties of the NiFeC Species and Mechanistic Implications
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journal
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October 2003 |
Kinetics of CO Insertion and Acetyl Group Transfer Steps, and a Model of the Acetyl-CoA Synthase Catalytic Mechanism
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journal
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August 2006 |
Rapid Kinetic Studies of Acetyl-CoA Synthesis: Evidence Supporting the Catalytic Intermediacy of a Paramagnetic NiFeC Species in the Autotrophic Wood−Ljungdahl Pathway
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journal
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January 2002 |
Two Separate One-Electron Steps in the Reductive Activation of the A Cluster in Subunit β of the ACDS Complex in Methanosarcina thermophila †
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journal
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May 2008 |
Transmethylation of a four-coordinate nickel( i ) monocarbonyl species with methyl iodide
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journal
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January 2014 |
Mechanistic Study on C–C Bond Formation of a Nickel(I) Monocarbonyl Species with Alkyl Iodides: Experimental and Computational Investigations
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August 2015 |
Selective Transformation of CO 2 to CO at a Single Nickel Center
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April 2018 |
Recent fundamental studies on migratory insertion into metal-carbon bonds
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November 1996 |
Unraveling the Structure and Mechanism of Acetyl-Coenzyme A Synthase
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August 2004 |
Carbon−Heteroatom Bond-Forming Reductive Eliminations of Amines, Ethers, and Sulfides
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December 1998 |
Carbon–Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes
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December 2016 |
Stochastic ENDOR
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May 1994 |
EasySpin, a comprehensive software package for spectral simulation and analysis in EPR
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January 2006 |
General and efficient simulation of pulse EPR spectra
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January 2009 |
Dead Time-Dependent Line Distortions in Absolute-Value Electron Spin Echo Envelope Modulation Spectra
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February 1999 |
Modulation effects in the electron spin echo resulting from hyperfine interaction with a nucleus of an arbitrary spin
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March 1981 |
Electronic Structure of a Cu II –Alkoxide Complex Modeling Intermediates in Copper-Catalyzed Alcohol Oxidations
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March 2016 |
The ORCA program system: The ORCA program system
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June 2011 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Effect of the damping function in dispersion corrected density functional theory
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March 2011 |
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 |
Accurate Coulomb-fitting basis sets for H to Rn
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January 2006 |
Importance of Direct Spin−Spin Coupling and Spin-Flip Excitations for the Zero-Field Splittings of Transition Metal Complexes: A Case Study
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August 2006 |
Natural orbitals as substitutes for optimized orbitals in complete active space wavefunctions
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September 2004 |