| Coordination polymer structure and revisited hydrogen evolution catalytic mechanism for amorphous molybdenum sulfide PD Tran, TV Tran, M Orio, S Torelli, QD Truong, K Nayuki, Y Sasaki, ... Nature materials 15 (6), 640-646, 2016 | 335 | 2016 |
| Density functional theory M Orio, DA Pantazis, F Neese Photosynthesis research 102 (2-3), 443-453, 2009 | 237 | 2009 |
| X‐Ray Structures of Copper (II) and Nickel (II) Radical Salen Complexes: The Preference of Galactose Oxidase for Copper (II) M Orio, O Jarjayes, H Kanso, C Philouze, F Neese, F Thomas Angewandte Chemie 122 (29), 5109-5112, 2010 | 156 | 2010 |
| Nickel-centred proton reduction catalysis in a model of [NiFe] hydrogenase D Brazzolotto, M Gennari, N Queyriaux, TR Simmons, J Pécaut, ... Nature chemistry 8 (11), 1054-1060, 2016 | 131 | 2016 |
| Structure of the oxygen-evolving complex of photosystem II: information on the S 2 state through quantum chemical calculation of its magnetic properties DA Pantazis, M Orio, T Petrenko, S Zein, W Lubitz, J Messinger, F Neese Physical Chemistry Chemical Physics 11 (31), 6788-6798, 2009 | 128 | 2009 |
| A New Quantum Chemical Approach to the Magnetic Properties of Oligonuclear Transition‐Metal Complexes: Application to a Model for the Tetranuclear Manganese Cluster of … DA Pantazis, M Orio, T Petrenko, S Zein, E Bill, W Lubitz, J Messinger, ... Chemistry–A European Journal 15 (20), 5108-5123, 2009 | 114 | 2009 |
| Pulsed‐EPR Evidence of a Manganese (II) Hydroxycarbonyl Intermediate in the Electrocatalytic Reduction of Carbon Dioxide by a Manganese Bipyridyl Derivative M Bourrez, M Orio, F Molton, H Vezin, C Duboc, A Deronzier, ... Angewandte Chemie International Edition 53 (1), 240-243, 2014 | 99 | 2014 |
| Magnetic and spectroscopic properties of mixed valence manganese (III, IV) dimers: a systematic study using broken symmetry density functional theory M Orio, DA Pantazis, T Petrenko, F Neese Inorganic chemistry 48 (15), 7251-7260, 2009 | 94 | 2009 |
| Theoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and … DA Pantazis, V Krewald, M Orio, F Neese Dalton Transactions 39 (20), 4959-4967, 2010 | 91 | 2010 |
| Ligand contributions to the electronic structures of the oxidized cobalt (II) salen complexes A Kochem, H Kanso, B Baptiste, H Arora, C Philouze, O Jarjayes, H Vezin, ... Inorganic Chemistry 51 (20), 10557-10571, 2012 | 77 | 2012 |
| Radical localization in a series of symmetric NiII complexes with oxidized salen ligands L Chiang, A Kochem, O Jarjayes, TJ Dunn, H Vezin, M Sakaguchi, ... Chemistry–A European Journal 18 (44), 14117-14127, 2012 | 70 | 2012 |
| One‐Electron Oxidized Copper (II) Salophen Complexes: Phenoxyl versus Diiminobenzene Radical Species A Kochem, O Jarjayes, B Baptiste, C Philouze, H Vezin, K Tsukidate, ... Chemistry–A European Journal 18 (4), 1068-1072, 2012 | 60 | 2012 |
| Trinuclear Terpyridine Frustrated Spin System with a MnIV3O4 Core: Synthesis, Physical Characterization, and Quantum Chemical Modeling of Its Magnetic … C Baffert, M Orio, DA Pantazis, C Duboc, AG Blackman, G Blondin, ... Inorganic chemistry 48 (21), 10281-10288, 2009 | 47 | 2009 |
| Spin interaction in octahedral zinc complexes of mono-and diradical Schiff and Mannich bases M Orio, C Philouze, O Jarjayes, F Neese, F Thomas Inorganic chemistry 49 (2), 646-658, 2010 | 45 | 2010 |
| Spectroscopic description of an unusual protonated ferryl species in the catalase from Proteus mirabilis and density functional theory calculations on related models … O Horner, JM Mouesca, PL Solari, M Orio, JL Oddou, P Bonville, ... JBIC Journal of Biological Inorganic Chemistry 12 (4), 509-525, 2007 | 38 | 2007 |
| Variation of Average g Values and Effective Exchange Coupling Constants among [2Fe−2S] Clusters: A Density Functional Theory Study of the Impact of … M Orio, JM Mouesca Inorganic chemistry 47 (12), 5394-5416, 2008 | 37 | 2008 |
| Reversible double oxidation and protonation of the non-innocent bridge in a nickel (II) salophen complex D de Bellefeuille, MS Askari, B Lassalle-Kaiser, Y Journaux, A Aukauloo, ... Inorganic Chemistry 51 (23), 12796-12804, 2012 | 35 | 2012 |
| Reversible apical coordination of imidazole between the Ni (III) and Ni (II) oxidation states of a dithiolate complex: A process related to the Ni superoxide dismutase M Gennari, M Orio, J Pécaut, F Neese, MN Collomb, C Duboc Inorganic chemistry 49 (14), 6399-6401, 2010 | 35 | 2010 |
| Copper (II) complexes of Phenanthroline and Histidine containing ligands: synthesis, characterization and evaluation of their DNA cleavage and cytotoxic activity SMG Leite, LMP Lima, S Gama, F Mendes, M Orio, I Bento, A Paulo, ... Inorganic chemistry 55 (22), 11801-11814, 2016 | 34 | 2016 |
| Versatile effects of aurone structure on mushroom tyrosinase activity C Dubois, R Haudecoeur, M Orio, C Belle, C Bochot, A Boumendjel, ... ChemBioChem 13 (4), 559-565, 2012 | 33 | 2012 |
Frank NeeseMax Planck Institute für KohlenforschungGeverifieerd e-mailadres voor kofo.mpg.de
