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Chemical diversity in angiosperms − monoterpene synthases control complex reactions that provide the precursors for ecologically and commercially important monoterpenoids

The Plant journal : for cell and molecular biology, 2024-07, Vol.119 (1), p.28-55

2024

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The radical mechanism of biological methane synthesis by methyl-coenzyme M reductase

Science (American Association for the Advancement of Science), 2016-05, Vol.352 (6288), p.953-958

2016

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Mechanism of Catalytic O2 Reduction by Iron Tetraphenylporphyrin

Journal of the American Chemical Society, 2019-05, Vol.141 (20), p.8315-8326

2019

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Nickel–Sulfonate Mode of Substrate Binding for Forward and Reverse Reactions of Methyl-SCoM Reductase Suggest a Radical Mechanism Involving Long-Range Electron Transfer

Journal of the American Chemical Society, 2021-04, Vol.143 (14), p.5481-5496

2021

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Catalytic bias in oxidation-reduction catalysis

Chemical communications (Cambridge, England), 2021-01, Vol.57 (6), p.713-72

2021

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Computational Investigations of the Reactivity of Metalloporphyrins for Ammonia Oxidation

Topics in catalysis, 2022, Vol.65 (1-4), p.341-353

2022

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Intramolecular Electrostatic Effects on O2, CO2, and Acetate Binding to a Cationic Iron Porphyrin

Inorganic chemistry, 2020-12, Vol.59 (23), p.17402-17414

2020

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Mechanism of Nitrogenase H2 Formation by Metal-Hydride Protonation Probed by Mediated Electrocatalysis and H/D Isotope Effects

Journal of the American Chemical Society, 2017-09, Vol.139 (38), p.13518-13524

2017

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Mechanistic investigation of SARS-CoV-2 main protease to accelerate design of covalent inhibitors

Scientific reports, 2022-12, Vol.12 (1), p.21037-21037, Article 21037

2022

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Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen

Inorganic chemistry, 2016-01, Vol.55 (2), p.445-460

2016

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Controlling Proton Delivery through Catalyst Structural Dynamics

Angewandte Chemie (International ed.), 2016-10, Vol.55 (43), p.13509-13513

International ed. in English, 2016

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Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo–NH3 Complex

Journal of the American Chemical Society, 2017-03, Vol.139 (8), p.2916-2919

2017

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Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases

Journal of the American Chemical Society, 2020-01, Vol.142 (3), p.1227-1235

2020

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Homogenous Electrocatalytic Oxygen Reduction Rates Correlate with Reaction Overpotential in Acidic Organic Solutions

ACS central science, 2016-11, Vol.2 (11), p.850-856

2016

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Proton Delivery and Removal in [Ni(PR 2NR′ 2)2]2+ Hydrogen Production and Oxidation Catalysts

Journal of the American Chemical Society, 2012-11, Vol.134 (47), p.19409-19424

2012

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Mechanical coupling in the nitrogenase complex

PLoS computational biology, 2021-03, Vol.17 (3), p.e1008719-e1008719

2021

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The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes

Chemistry : a European journal, 2012-05, Vol.18 (21), p.6493-6506

2012

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Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength

Journal of chemical theory and computation, 2010-07, Vol.6 (7), p.2167-2175

2010

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On the zwitterionic nature of gas-phase peptides and protein ions

PLoS computational biology, 2010-05, Vol.6 (5), p.e1000775-e1000775

2010

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Structural characterization of the P1+ intermediate state of the P-cluster of nitrogenase

The Journal of biological chemistry, 2018-06, Vol.293 (25), p.9629-9635

2018

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Molecular dynamics study of the proposed proton transport pathways in [FeFe]-hydrogenase

Biochimica et biophysica acta, 2014-01, Vol.1837 (1), p.131-138

2014

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Distant protonated pyridine groups in water-soluble iron porphyrin electrocatalysts promote selective oxygen reduction to water

Chemical communications (Cambridge, England), 2012-01, Vol.48 (90), p.11100-11102

2012

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Triggering dynamics of the high-pressure benzene amorphization

Nature materials, 2007-01, Vol.6 (1), p.39-43

2007

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Selectivity-Determining Steps in O2 Reduction Catalyzed by Iron(tetramesitylporphyrin)

Journal of the American Chemical Society, 2020-03, Vol.142 (9), p.4108-4113

2020

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Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations

Organometallics, 2011-11, Vol.30 (22), p.6108-6118

2011

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Chemical diversity in angiosperms − monoterpene synthases control complex reactions that provide the precursors for ecologically and commercially important monoterpenoids

The radical mechanism of biological methane synthesis by methyl-coenzyme M reductase

Mechanism of Catalytic O2 Reduction by Iron Tetraphenylporphyrin

Nickel–Sulfonate Mode of Substrate Binding for Forward and Reverse Reactions of Methyl-SCoM Reductase Suggest a Radical Mechanism Involving Long-Range Electron Transfer

Catalytic bias in oxidation-reduction catalysis

Computational Investigations of the Reactivity of Metalloporphyrins for Ammonia Oxidation

Intramolecular Electrostatic Effects on O2, CO2, and Acetate Binding to a Cationic Iron Porphyrin

Mechanism of Nitrogenase H2 Formation by Metal-Hydride Protonation Probed by Mediated Electrocatalysis and H/D Isotope Effects

Mechanistic investigation of SARS-CoV-2 main protease to accelerate design of covalent inhibitors

Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen

Controlling Proton Delivery through Catalyst Structural Dynamics

Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo–NH3 Complex

Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases

Homogenous Electrocatalytic Oxygen Reduction Rates Correlate with Reaction Overpotential in Acidic Organic Solutions

Proton Delivery and Removal in [Ni(PR 2NR′ 2)2]2+ Hydrogen Production and Oxidation Catalysts

Mechanical coupling in the nitrogenase complex

The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes

Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength

On the zwitterionic nature of gas-phase peptides and protein ions

Structural characterization of the P1+ intermediate state of the P-cluster of nitrogenase

Molecular dynamics study of the proposed proton transport pathways in [FeFe]-hydrogenase

Distant protonated pyridine groups in water-soluble iron porphyrin electrocatalysts promote selective oxygen reduction to water

Triggering dynamics of the high-pressure benzene amorphization

Selectivity-Determining Steps in O2 Reduction Catalyzed by Iron(tetramesitylporphyrin)

Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations

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