Carole Duboc

Overview

Best Publications

• Lithium/Sulfur Cell Discharge Mechanism: An Original Approach for Intermediate Species Identification

  Céline Barchasz;Florian Molton;Carole Duboc;Jean-Claude Leprêtre

  1278
  Citations

• Nickel-centred proton reduction catalysis in a model of [NiFe] hydrogenase

  Deborah Brazzolotto;Marcello Gennari;Nicolas Queyriaux;Trevor R. Simmons

  248
  Citations

• Artificial metalloenzyme for enantioselective sulfoxidation based on vanadyl-loaded streptavidin.

  Anca Pordea;Marc Creus;Jaroslaw Panek;Carole Duboc

  176
  Citations

• Origin of the Zero-Field Splitting in Mononuclear Octahedral Dihalide MnII Complexes: An Investigation by Multifrequency High-Field Electron Paramagnetic Resonance and Density Functional Theory

  Carole Duboc;Thida Phoeung;Samir Zein;Jacques Pécaut

  172
  Citations

• Structural and Magnetic Properties of MnIII and CuII Tetranuclear Azido Polyoxometalate Complexes: Multifrequency High‐Field EPR Spectroscopy of Cu4 Clusters with S=1 and S=2 Ground States

  Pierre Mialane;Carole Duboc;Jérôme Marrot;Eric Rivière

  163
  Citations

• Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches

  Carole Duboc;Dmitry Ganyushin;Kantharuban Sivalingam;Marie-Noëlle Collomb

  160
  Citations

• Manganese K-edge X-ray absorption spectroscopy as a probe of the metal-ligand interactions in coordination compounds.

  Michael Roemelt;Martha A. Beckwith;Martha A. Beckwith;Carole Duboc;Marie-Noëlle Collomb

  148
  Citations

• Intramolecularly hydrogen-bonded versus copper(II) coordinated mono- and bis-phenoxyl radicals.

  Fabrice Thomas;Olivier Jarjayes;Carole Duboc;Christian Philouze

  145
  Citations

• A Systematic Density Functional Study of the Zero-Field Splitting in Mn(II) Coordination Compounds

  Samir Zein;Carole Duboc;Wolfgang Lubitz;Frank Neese

  140
  Citations

• Pulsed‐EPR Evidence of a Manganese(II) Hydroxycarbonyl Intermediate in the Electrocatalytic Reduction of Carbon Dioxide by a Manganese Bipyridyl Derivative

  Marc Bourrez;Maylis Orio;Florian Molton;Hervé Vezin

  139
  Citations

• Manganese Kβ X-ray emission spectroscopy as a probe of metal-ligand interactions.

  Martha A. Beckwith;Martha A. Beckwith;Michael Roemelt;Michael Roemelt;Marie-Noëlle Collomb;Carole DuBoc

  135
  Citations

• Determination and prediction of the magnetic anisotropy of Mn ions

  Carole Duboc

  132
  Citations

• Molecular Catalysts for N2 Reduction: State of the Art, Mechanism, and Challenges.

  Yoann Roux;Carole Duboc;Marcello Gennari

  126
  Citations

• Synergy between metals for small molecule activation: Enzymes and bio-inspired complexes

  Ashta C. Ghosh;Ashta C. Ghosh;Carole Duboc;Marcello Gennari

  122
  Citations

• Structural characterization and electronic properties determination by high-field and high-frequency EPR of a series of five-coordinated Mn(II) complexes.

  Claire Mantel;Carole Baffert;Isabel Romero;Alain Deronzier

  103
  Citations

• Definition of Magneto‐Structural Correlations for the MnII Ion

  Carole Duboc;Carole Duboc;Marie-Noëlle Collomb;Jacques Pécaut;Alain Deronzier

  95
  Citations

• An Unusual Stable Mononuclear MnIII Bis‐terpyridine Complex Exhibiting Jahn–Teller Compression: Electrochemical Synthesis, Physical Characterisation and Theoretical Study

  Sophie Romain;Carole Duboc;Frank Neese;Eric Rivière

  92
  Citations

• Structural, Magnetic, EPR, and Electrochemical Characterizations of a Spin-Frustrated Trinuclear CrIII Polyoxometalate and Study of Its Reactivity with Lanthanum Cations

  Jean-Daniel Compain;Pierre Mialane;Anne Dolbecq;Israël Martyr Mbomekallé

  89
  Citations

• A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery.

  Lianke Wang;Marcello Gennari;Fabián G. Cantú Reinhard;Javier Gutiérrez

  88
  Citations

• Understanding the Zero-Field Splitting of Mononuclear Manganese(II) Complexes from Combined EPR Spectroscopy and Quantum Chemistry

  Carole Duboc;Marie-Noëlle Collomb;Frank Neese

  85
  Citations

• A series of metal complexes with the non-innocent N,N′-bis(pentafluorophenyl)-o-phenylenediamido ligand: twisted geometry for tuning the electronic structure

  Marat M. Khusniyarov;Klaus Harms;Olaf Burghaus;Jörg Sundermeyer

  80
  Citations