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Geometric and Electronic Structure Contributions to Function in Non-heme Iron Enzymes

Accounts of chemical research, 2013-11, Vol.46 (11), p.2725-2739

2013

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Elucidation of the Fe(iv)=O intermediate in the catalytic cycle of the halogenase SyrB2

Nature (London), 2013-07, Vol.499 (7458), p.320-323

2013

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π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity

Proceedings of the National Academy of Sciences - PNAS, 2012-09, Vol.109 (36), p.14326-14331

2012

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Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF

Journal of the American Chemical Society, 2017-05, Vol.139 (20), p.7062-7070

2017

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Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sites

Current opinion in chemical biology, 2009-02, Vol.13 (1), p.99-113

2009

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Definition of the intermediates and mechanism of the anticancer drug bleomycin using nuclear resonance vibrational spectroscopy and related methods

Proceedings of the National Academy of Sciences - PNAS, 2010-12, Vol.107 (52), p.22419-22424

2010

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Geometric and Electronic Structure of the Mn(IV)Fe(III) Cofactor in Class Ic Ribonucleotide Reductase: Correlation to the Class Ia Binuclear Non-Heme Iron Enzyme

Journal of the American Chemical Society, 2013-11, Vol.135 (46), p.17573-17584

2013

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Electronic Structure of the Ferryl Intermediate in the α‑Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity

Journal of the American Chemical Society, 2016-04, Vol.138 (15), p.5110-5122

2016

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Nuclear resonance vibrational spectroscopic and computational study of high-valent diiron complexes relevant to enzyme intermediates

Proceedings of the National Academy of Sciences - PNAS, 2013-04, Vol.110 (16), p.6275-6280

2013

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Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIVO Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction

Journal of the American Chemical Society, 2020-11, Vol.142 (44), p.18886-18896

2020

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Spectroscopic and computational insight into the activation of O₂ by the mononuclear Cu center in polysaccharide monooxygenases

Proceedings of the National Academy of Sciences - PNAS, 2014-06, Vol.111 (24), p.8797-8802

2014

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Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad Fe IV ═O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction

Journal of the American Chemical Society, 2020-11, Vol.142 (44), p.18886-18896

2020

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Nuclear resonance vibrational spectroscopy on the Fe(IV)=O S=2 non-heme site in TMG3tren: experimentally calibrated insights into reactivity

Angewandte Chemie International Edition, 2011-03, Vol.50 (14), p.3215-3218

2011

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Combined NRVS and DFT Study of FeIV==O Model Complexes: A Diagnostic Method for the Elucidation of Non-Heme Iron Enzyme Intermediates

Angewandte Chemie (International ed.), 2008-01, Vol.47 (47), p.9071-9074

2008

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Nuclear Resonance Vibrational Spectroscopy and DFT study of Peroxo-Bridged Biferric Complexes: Structural Insight into Peroxo Intermediates of Binuclear Non-heme Iron Enzymes

Angewandte Chemie International Edition, 2013-01, Vol.52 (4), p.1294-1298

International ed. in English, 2013

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A Combined NRVS and DFT Study of Fe IV O Model Complexes: A Diagnostic Method for the Elucidation of Non‐Heme Iron Enzyme Intermediates

Angewandte Chemie International Edition, 2008-11, Vol.47 (47), p.9071-9074

2008

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A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates

Angewandte Chemie (International ed.), 2008, Vol.47 (47), p.9071-9074

2008

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Nuclear Resonance Vibrational Spectroscopy and DFT study of Peroxo‐Bridged Biferric Complexes: Structural Insight into Peroxo Intermediates of Binuclear Non‐heme Iron Enzymes

Angewandte Chemie, 2013-01, Vol.125 (4), p.1332-1336

2013

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Spectroscopic and computational insight into the activation of O 2 by the mononuclear Cu center in polysaccharide monooxygenases

Proceedings of the National Academy of Sciences - PNAS, 2014-06, Vol.111 (24), p.8797-8802

2014

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Spectroscopic and Quantum Chemical Studies on Low-Spin Fe IV O Complexes: Fe−O Bonding and Its Contributions to Reactivity

Journal of the American Chemical Society, 2007-12, Vol.129 (51), p.15983-15996

2007

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Spectroscopic and Quantum Chemical Studies on Low-Spin FeIVO Complexes: Fe−O Bonding and Its Contributions to Reactivity

Journal of the American Chemical Society, 2007-12, Vol.129 (51), p.15983-15996

2007

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Excited state potential energy surfaces and their interactions in Fe IV O active sites

Dalton transactions : an international journal of inorganic chemistry, 2014, Vol.43 (47), p.17567-17577

2014

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NRVS Definition of the Facial Triad FeIV=O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction

Journal of the American Chemical Society, 2020-10, Vol.142 (44), p.18886-18896

2020

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Excited State Potential Energy Surfaces and their Interactions in FeIV=O Active Sites

Dalton transactions : an international journal of inorganic chemistry, 2014-12, Vol.43 (47), p.17567-17577

2014

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Excited state potential energy surfaces and their interactions in FeIV&z.dbd;O active sites

2014-11

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Geometric and Electronic Structure Contributions to Function in Non-heme Iron Enzymes

Elucidation of the Fe(iv)=O intermediate in the catalytic cycle of the halogenase SyrB2

π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity

Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF

Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sites

Definition of the intermediates and mechanism of the anticancer drug bleomycin using nuclear resonance vibrational spectroscopy and related methods

Geometric and Electronic Structure of the Mn(IV)Fe(III) Cofactor in Class Ic Ribonucleotide Reductase: Correlation to the Class Ia Binuclear Non-Heme Iron Enzyme

Electronic Structure of the Ferryl Intermediate in the α‑Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity

Nuclear resonance vibrational spectroscopic and computational study of high-valent diiron complexes relevant to enzyme intermediates

Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIVO Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction

Spectroscopic and computational insight into the activation of O₂ by the mononuclear Cu center in polysaccharide monooxygenases

Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad Fe IV ═O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction

Nuclear resonance vibrational spectroscopy on the Fe(IV)=O S=2 non-heme site in TMG3tren: experimentally calibrated insights into reactivity

Combined NRVS and DFT Study of FeIV==O Model Complexes: A Diagnostic Method for the Elucidation of Non-Heme Iron Enzyme Intermediates

Nuclear Resonance Vibrational Spectroscopy and DFT study of Peroxo-Bridged Biferric Complexes: Structural Insight into Peroxo Intermediates of Binuclear Non-heme Iron Enzymes

A Combined NRVS and DFT Study of Fe IV O Model Complexes: A Diagnostic Method for the Elucidation of Non‐Heme Iron Enzyme Intermediates

A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates

Nuclear Resonance Vibrational Spectroscopy and DFT study of Peroxo‐Bridged Biferric Complexes: Structural Insight into Peroxo Intermediates of Binuclear Non‐heme Iron Enzymes

Spectroscopic and computational insight into the activation of O 2 by the mononuclear Cu center in polysaccharide monooxygenases

Spectroscopic and Quantum Chemical Studies on Low-Spin Fe IV O Complexes: Fe−O Bonding and Its Contributions to Reactivity

Spectroscopic and Quantum Chemical Studies on Low-Spin FeIVO Complexes: Fe−O Bonding and Its Contributions to Reactivity

Excited state potential energy surfaces and their interactions in Fe IV O active sites

NRVS Definition of the Facial Triad FeIV=O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction

Excited State Potential Energy Surfaces and their Interactions in FeIV=O Active Sites

Excited state potential energy surfaces and their interactions in FeIV&z.dbd;O active sites

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