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Carole Duboc

Showing results (11-20 of 113) with videos related to

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Journal of the American Chemical Society|November 13, 2004
Molecule-bridged mixed-valent intermediates involving the Ru I oxidation stateBiprajit Sarkar, Wolfgang Kaim, Jan Fiedler, et al.
Inorganic Chemistry|December 13, 2007
A systematic density functional study of the zero-field splitting in Mn(II) coordination compoundsSamir Zein, Carole Duboc, Wolfgang Lubitz, et al.
Dalton Transactions (Cambridge, England : 2003)|February 9, 2012
A copper thiolate centre for electron transfer: mononuclear vs. dinuclear complexesMarcello Gennari, Jacques Pécaut, Marie-Noëlle Collomb, et al.
Physical Chemistry Chemical Physics : PCCP|November 20, 2012
A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limitMarius Retegan, Marie-Noëlle Collomb, Frank Neese, et al.
Inorganic Chemistry|April 12, 2005
The redox series [M(bpy)2(q)]n+, M = Ru or Os, Q = 3,5-di-tert-butyl-n-phenyl-1,2-benzoquinonemonoimine. Isolation and a complete X and W band EPR study of the semiquinone states (n = 1)Shengfa Ye, Biprajit Sarkar, Carole Duboc, et al.
The Journal of Physical Chemistry. A|September 11, 2010
Systematic theoretical study of the zero-field splitting in coordination complexes of Mn(III). Density functional theory versus multireference wave function approachesCarole Duboc, Dmitry Ganyushin, Kantharuban Sivalingam, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 11, 2008
Definition of magneto-structural correlations for the MnII ionCarole Duboc, Marie-Noëlle Collomb, Jacques Pécaut, et al.
Journal of Computational Chemistry|April 2, 2024
Investigating the interplay between charge transfer and CO<sub>2</sub> insertion in the adsorption of a NiFe catalyst for CO<sub>2</sub> electroreduction on a graphite support through DFT computational approachesSubash Arjunan, Joshua M Sims, Carole Duboc, et al.
Molecules (Basel, Switzerland)|September 28, 2023
ClO<sub>2</sub>-Mediated Oxidation of the TEMPO Radical: Fundamental Considerations of the Catalytic System for the Oxidation of Cellulose FibersLaura Giraldo Isaza, Gérard Mortha, Nathalie Marlin, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 14, 2006
Structural and magnetic properties of Mn(III) and Cu(II) tetranuclear azido polyoxometalate complexes: multifrequency high-field EPR spectroscopy of Cu4 clusters with S = 1 and S = 2 ground statesPierre Mialane, Carole Duboc, Jérôme Marrot, et al.
Pageof 12

Showing results (11-20 of 113) with videos related to

Sort By:
Pageof 12
Journal of the American Chemical Society|November 13, 2004
Molecule-bridged mixed-valent intermediates involving the Ru I oxidation stateBiprajit Sarkar, Wolfgang Kaim, Jan Fiedler, et al.
Inorganic Chemistry|December 13, 2007
A systematic density functional study of the zero-field splitting in Mn(II) coordination compoundsSamir Zein, Carole Duboc, Wolfgang Lubitz, et al.
Dalton Transactions (Cambridge, England : 2003)|February 9, 2012
A copper thiolate centre for electron transfer: mononuclear vs. dinuclear complexesMarcello Gennari, Jacques Pécaut, Marie-Noëlle Collomb, et al.
Physical Chemistry Chemical Physics : PCCP|November 20, 2012
A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limitMarius Retegan, Marie-Noëlle Collomb, Frank Neese, et al.
Inorganic Chemistry|April 12, 2005
The redox series [M(bpy)2(q)]n+, M = Ru or Os, Q = 3,5-di-tert-butyl-n-phenyl-1,2-benzoquinonemonoimine. Isolation and a complete X and W band EPR study of the semiquinone states (n = 1)Shengfa Ye, Biprajit Sarkar, Carole Duboc, et al.
The Journal of Physical Chemistry. A|September 11, 2010
Systematic theoretical study of the zero-field splitting in coordination complexes of Mn(III). Density functional theory versus multireference wave function approachesCarole Duboc, Dmitry Ganyushin, Kantharuban Sivalingam, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 11, 2008
Definition of magneto-structural correlations for the MnII ionCarole Duboc, Marie-Noëlle Collomb, Jacques Pécaut, et al.
Journal of Computational Chemistry|April 2, 2024
Investigating the interplay between charge transfer and CO<sub>2</sub> insertion in the adsorption of a NiFe catalyst for CO<sub>2</sub> electroreduction on a graphite support through DFT computational approachesSubash Arjunan, Joshua M Sims, Carole Duboc, et al.
Molecules (Basel, Switzerland)|September 28, 2023
ClO<sub>2</sub>-Mediated Oxidation of the TEMPO Radical: Fundamental Considerations of the Catalytic System for the Oxidation of Cellulose FibersLaura Giraldo Isaza, Gérard Mortha, Nathalie Marlin, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 14, 2006
Structural and magnetic properties of Mn(III) and Cu(II) tetranuclear azido polyoxometalate complexes: multifrequency high-field EPR spectroscopy of Cu4 clusters with S = 1 and S = 2 ground statesPierre Mialane, Carole Duboc, Jérôme Marrot, et al.
Pageof 12