Marius Retegan
Marius Retegan
ESRF - The European Synchrotron
Verified email at - Homepage
Cited by
Cited by
Electronic structure of the oxygen-evolving complex in photosystem II prior to OO bond formation
N Cox, M Retegan, F Neese, DA Pantazis, A Boussac, W Lubitz
Science 345 (6198), 804-808, 2014
Metal oxidation states in biological water splitting
V Krewald, M Retegan, N Cox, J Messinger, W Lubitz, S DeBeer, F Neese, ...
Chemical science 6 (3), 1676-1695, 2015
A five-coordinate Mn (IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding
M Retegan, V Krewald, F Mamedov, F Neese, W Lubitz, N Cox, ...
Chemical science 7 (1), 72-84, 2016
Towards Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions
A Botan, F Fernando, J Fuchs, Patrick François, M Javanainen, M Kanduc, ...
The Journal of Physical Chemistry B, 2015
Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S 2 state: a combined EPR and DFT study
T Lohmiller, V Krewald, MP Navarro, M Retegan, L Rapatskiy, ...
Physical Chemistry Chemical Physics 16 (24), 11877-11892, 2014
Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst
V Krewald, M Retegan, F Neese, W Lubitz, DA Pantazis, N Cox
Inorganic Chemistry 55 (2), 488-501, 2015
The first tyrosyl radical intermediate formed in the S 2–S 3 transition of photosystem II
M Retegan, N Cox, W Lubitz, F Neese, DA Pantazis
Physical Chemistry Chemical Physics 16 (24), 11901-11910, 2014
Convergence of QM/MM and cluster models for the spectroscopic properties of the oxygen-evolving complex in photosystem II
M Retegan, F Neese, DA Pantazis
Journal of chemical theory and computation 9 (8), 3832-3842, 2013
Principles of natural photosynthesis
V Krewald, M Retegan, DA Pantazis
Solar Energy for Fuels, 23-48, 2016
Redox‐Responsive Porphyrin‐Based Molecular Tweezers
A Iordache, M Retegan, F Thomas, G Royal, E Saint‐Aman, C Bucher
Chemistry–A European Journal 18 (25), 7648-7653, 2012
Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications
M Retegan, DA Pantazis
Chemical science 7 (10), 6463-6476, 2016
Dioxygen activation and catalytic reduction to hydrogen peroxide by a thiolate-bridged dimanganese (II) complex with a pendant thiol
M Gennari, D Brazzolotto, J Pécaut, MV Cherrier, CJ Pollock, S DeBeer, ...
Journal of the American Chemical Society 137 (26), 8644-8653, 2015
Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting Diodes
W Ratzke, L Schmitt, H Matsuoka, C Bannwarth, M Retegan, S Bange, ...
The journal of physical chemistry letters 7 (22), 4802-4808, 2016
A first-principles approach to the calculation of the on-site zero-field splitting in polynuclear transition metal complexes
M Retegan, N Cox, DA Pantazis, F Neese
Inorganic chemistry 53 (21), 11785-11793, 2014
Azurin as a protein scaffold for a low-coordinate nonheme iron site with a small-molecule binding pocket
MP McLaughlin, M Retegan, E Bill, TM Payne, HS Shafaat, S Pena, ...
Journal of the American Chemical Society 134 (48), 19746-19757, 2012
From an Enhanced Understanding to Commercially Viable Electrodes: The Case of PTCLi4 as Sustainable Organic Lithium‐Ion Anode Material
A Iordache, D Bresser, S Solan, M Retegan, M Bardet, J Skrzypski, ...
Advanced Sustainable Systems 1 (3-4), 1600032, 2017
Free energy calculations using dual-level Born–Oppenheimer molecular dynamics
M Retegan, M Martins-Costa, MF Ruiz-López
The Journal of chemical physics 133 (6), 064103, 2010
Differences in the active site of water oxidation among photosynthetic organisms
M Retegan, DA Pantazis
Journal of the American Chemical Society 139 (41), 14340-14343, 2017
Exploring the binding of inhibitors derived from tetrabromobenzimidazole to the CK2 protein using a QM/MM-PB/SA approach
M Retegan, A Milet, H Jamet
Journal of chemical information and modeling 49 (4), 963-971, 2009
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 …
M Retegan, MN Collomb, F Neese, C Duboc
Physical Chemistry Chemical Physics 15 (1), 223-234, 2013
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