X-ray absorption spectroscopy in coordination chemistry
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September 1999
A Two-State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in CH Bond Cleavage by Nonheme Oxoiron(IV) Complexes
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January 2009
Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics
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November 2010
Evidence for Hydrogen Abstraction from C1 of Taurine by the High-Spin Fe(IV) Intermediate Detected during Oxygen Activation by Taurine:α-Ketoglutarate Dioxygenase (TauD)
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October 2003
Characterization of an Oxo(porphyrinato)manganese(IV) Complex by X-ray Absorption Spectroscopy
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Redox Potential and C−H Bond Cleaving Properties of a Nonheme Fe IV ═O Complex in Aqueous Solution
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June 2010
Synthetic Mononuclear Nonheme Iron–Oxygen Intermediates
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July 2015
Structures of Nonheme Oxoiron(IV) Complexes from X-ray Crystallography, NMR Spectroscopy, and DFT Calculations
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June 2005
Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity
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April 2016
Density Functional Theory and Hydrogen Bonds: Are We There Yet?
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February 2015
Equatorial Ligand Perturbations Influence the Reactivity of Manganese(IV)-Oxo Complexes
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March 2017
Kinetics, mechanism, and thermodynamics of aqueous iron(III) chelation and dissociation: influence of carbon and nitrogen substituents in hydroxamic acid ligands
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December 1984
A Balancing Act: Stability versus Reactivity of Mn(O) Complexes
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September 2015
Evidence for a Precursor Complex in CH Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex
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April 2011
Evidence for a Precursor Complex in CH Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex
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April 2011
Transient Intermediates from Mn(salen) with Sterically Hindered Mesityl Groups: Interconversion between Mn IV -Phenolate and Mn III -Phenoxyl Radicals as an Origin for Unique Reactivity
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March 2008
Equatorial Ligand Perturbations Influence the Reactivity of Manganese(IV)-Oxo Complexes
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March 2017
Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions
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July 2015
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
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April 1994
Fe(II)/α-Ketoglutarate-Dependent Hydroxylases and Related Enzymes
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January 2004
Elucidation of the Fe(iv)=O intermediate in the catalytic cycle of the halogenase SyrB2
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July 2013
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
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August 1992
A Highly Reactive Mononuclear Non-Heme Manganese(IV)–Oxo Complex That Can Activate the Strong C–H Bonds of Alkanes
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December 2011
Theoretical Investigations into C–H Bond Activation Reaction by Nonheme Mn IV O Complexes: Multistate Reactivity with No Oxygen Rebound
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September 2012
Status of Reactive Non-Heme Metal–Oxygen Intermediates in Chemical and Enzymatic Reactions
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August 2014
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
Spectroscopic and Computational Investigations of a Mononuclear Manganese(IV)-Oxo Complex Reveal Electronic Structure Contributions to Reactivity
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November 2016
Spectroscopic properties and reactivity of a mononuclear oxomanganese(iv) complex
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January 2013
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
https://doi.org/10.1021/jp810292n
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May 2009
Crystallographic and Spectroscopic Characterization of a Nonheme Fe(IV)&cjs0811;O Complex
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February 2003
Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non-Heme Oxoiron(IV) Complex that Makes it a Better Oxidant
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June 2018
Toward the Synthesis of More Reactive S = 2 Non-Heme Oxoiron(IV) Complexes
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July 2015
Charakterisierung eines Oxo(porphyrinato)-mangan(IV)-Komplexes mit Röntgenabsorptionsspektroskopie
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February 1995
Acidity of Strong Acids in Water and Dimethyl Sulfoxide
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May 2016
Structure and Chemistry of Cytochrome P450
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June 2005
A Two-State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in CH Bond Cleavage by Nonheme Oxoiron(IV) Complexes
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January 2009
Two-State Reactivity in Alkane Hydroxylation by Non-Heme Iron−Oxo Complexes
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June 2006
Fityk : a general-purpose peak fitting program
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September 2010
[Mn(tmc)(O2)]+: A Side-On Peroxido Manganese(III) Complex Bearing a Non-Heme Ligand
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January 2007
Saturation Kinetics in Phenolic O–H Bond Oxidation by a Mononuclear Mn(III)–OH Complex Derived from Dioxygen
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June 2014
Spectroscopic and Quantum Chemical Studies on Low-Spin Fe IV O Complexes: Fe−O Bonding and Its Contributions to Reactivity
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December 2007
Mn IV -Oxo complex of a bis(benzimidazolyl)-containing N5 ligand reveals different reactivity trends for Mn IV -oxo than Fe IV -oxo species
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January 2019
A Mononuclear Non-Heme Manganese(IV)–Oxo Complex Binding Redox-Inactive Metal Ions
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January 2013
Tuning the reactivity of mononuclear nonheme manganese( iv )-oxo complexes by triflic acid
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January 2015
Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins
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December 2017
Mononuclear nonheme iron( iv )–oxo and manganese( iv )–oxo complexes in oxidation reactions: experimental results prove theoretical prediction
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January 2015
Effect of the damping function in dispersion corrected density functional theory
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March 2011
Heme and Nonheme High-Valent Iron and Manganese Oxo Cores in Biological and Abiological Oxidation Reactions
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December 2018
Theoretical x-ray absorption fine structure standards
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July 1991
X-ray Absorption Spectroscopy
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January 2003
Structurally characterized terminal manganese( iv ) oxo tris(alkoxide) complex
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January 2018
Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non-Heme Oxoiron(IV) Complex that Makes it a Better Oxidant
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June 2018
Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids
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September 2003
Modeling the cis-Oxo-Labile Binding Site Motif of Non-Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non-Heme Iron(IV)-Oxo Compound Bearing a Tripodal Tetradentate Ligand
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January 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
Brønsted Acid-Promoted C–H Bond Cleavage via Electron Transfer from Toluene Derivatives to a Protonated Nonheme Iron(IV)-Oxo Complex with No Kinetic Isotope Effect
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March 2013
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
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June 2005
Nonheme Fe IV O Complexes That Can Oxidize the C−H Bonds of Cyclohexane at Room Temperature
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January 2004
X-Band Electron Paramagnetic Resonance Comparison of Mononuclear Mn IV -oxo and Mn IV -hydroxo Complexes and Quantum Chemical Investigation of Mn IV Zero-Field Splitting
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March 2016
A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry
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July 2006
Structures of Nonheme Oxoiron(IV) Complexes from X-ray Crystallography, NMR Spectroscopy, and DFT Calculations
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June 2005
The ORCA program system: The ORCA program system
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June 2011
Mn K-Edge X-ray Absorption Studies of Oxo- and Hydroxo-manganese(IV) Complexes: Experimental and Theoretical Insights into Pre-Edge Properties
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May 2014
[Mn(tmc)(O2)]+: A Side-On Peroxido Manganese(III) Complex Bearing a Non-Heme Ligand
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January 2007
Oxo- and Hydroxomanganese(IV) Adducts: A Comparative Spectroscopic and Computational Study
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August 2010
Reactivity of an Fe IV -Oxo Complex with Protons and Oxidants
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September 2016