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Anion control of tautomeric equilibria: Fe-H vs. N-H influenced by NH···F hydrogen bonding

artículo científico publicado en 2018

Catalytic bias in oxidation-reduction catalysis

artículo científico publicado en 2020

Correction to "High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E4(4H)"

scientific article published on 10 December 2019

Design and reactivity of pentapyridyl metal complexes for ammonia oxidation

scientific article published on 01 April 2019

Electron Redistribution within the Nitrogenase Active Site FeMo-Cofactor During Reductive Elimination of H<sub>2</sub> to Achieve N≡N Triple-Bond Activation

artículo científico publicado en 2020

Energy Transduction in Nitrogenase

artículo científico publicado en 2018

HIV-1 integrase binding to its cellular partners: a perspective from computational biology

artículo científico publicado en 2014

High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E4(4H)

scientific article published on 16 July 2019

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

scientific article published on 17 November 2020

Mechanism of Catalytic O2 Reduction by Iron Tetraphenylporphyrin

scientific article published on 13 May 2019

Molecular simulation-based structural prediction of protein complexes in mass spectrometry: the human insulin dimer

artículo científico publicado en 2014

Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH<sub>3</sub>)<sub>4</sub>]<sup><i>q</i></sup>, <i>q</i> = −2, −1, +2, +3

artículo científico publicado en 2021

Reduction of Substrates by Nitrogenases

scientific article published on 16 March 2020

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

scientific article published on 20 February 2020

Splitting of multiple hydrogen molecules by bioinspired diniobium metal complexes: a DFT study

scientific article published on 25 November 2020

Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases

scientific article published on 10 January 2020

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