Département de chimie moléculaire

Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations., Gerey, Bertrand, Gennari Marcello, Gouré Eric, Pécaut Jacques, Blackman Allan, Pantazis Dimitrios A., Neese Frank, Molton Florian, Fortage Jérôme, Duboc Carole, et al. , Dalt. Trans., Volume 44, Number 28, p.12757–12770, (2015)

Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol., Gennari, Marcello, Brazzolotto Deborah, Pécaut Jacques, Cherrier Mickael V., Pollock Christopher J., DeBeer Serena, Retegan Marius, Pantazis Dimitrios A., Neese Frank, Rouzières Mathieu, et al. , J. Am. Chem. Soc., Volume 137, Number 26, p.8644–8653, (2015)

How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II., Beckwith, Martha A., Ames William, Vila Fernando D., Krewald Vera, Pantazis Dimitrios A., Mantel Claire, Pécaut Jacques, Gennari Marcello, Duboc Carole, Collomb Marie-Noelle, et al. , J. Am. Chem. Soc., Volume 137, Number 40, p.12815–12834, (2015)

Trinuclear Terpyridine Frustrated Spin System with a MnIV3O4 Core: Synthesis, Physical Characterization, and Quantum Chemical Modeling of Its Magnetic Properties., Baffert, Carole, Orio Maylis, Pantazis Dimitrios A., Duboc Carole, Blackman Allan, Blondin Geneviève, Neese Frank, Deronizer Alain, and Collomb Marie-Noelle , Inorg. Chem., Volume 48, Number 21, p.10281–10288, (2009)