| 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 | 378 | 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 | 215 | 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 | 124 | 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 | 90 | 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 | 68 | 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 | 63 | 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 | 62 | 2014 |
| 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 | 48 | 2012 |
| 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 | 47 | 2013 |
| Principles of natural photosynthesis V Krewald, M Retegan, DA Pantazis Solar Energy for Fuels, 23-48, 2016 | 42 | 2016 |
| 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 | 38 | 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 | 37 | 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 | 29 | 2016 |
| 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 | 26 | 2012 |
| 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 | 25 | 2014 |
| Free energy calculations using dual-level Born–Oppenheimer molecular dynamics M Retegan, M Martins-Costa, MF Ruiz-Lopez The Journal of chemical physics 133 (6), 064103, 2010 | 25 | 2010 |
| 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 | 24 | 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 | 22 | 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 | 20 | 2013 |
| A High‐Valent Non‐Heme μ‐Oxo Manganese (IV) Dimer Generated from a Thiolate‐Bound Manganese (II) Complex and Dioxygen D Brazzolotto, FG Cantú Reinhard, J Smith‐Jones, M Retegan, L Amidani, ... Angewandte Chemie 129 (28), 8323-8327, 2017 | 19 | 2017 |
Frank NeeseMax Planck Institute für KohlenforschungGeverifieerd e-mailadres voor kofo.mpg.de
