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 | 539 | 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 | 336 | 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 | 191 | 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 | 137 | 2015 |
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 | 115 | 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 | 95 | 2014 |
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 | 79 | 2014 |
Demethylation of methylmercury in bird, fish, and earthworm A Manceau, JP Bourdineaud, RB Oliveira, SLF Sarrazin, DP Krabbenhoft, ... Environmental Science & Technology 55 (3), 1527-1534, 2021 | 74 | 2021 |
Principles of natural photosynthesis V Krewald, M Retegan, DA Pantazis Solar Energy for Fuels, 23-48, 2016 | 74 | 2016 |
Chemical sensitivity of Kβ and Kα X-ray emission from a systematic investigation of iron compounds S Lafuerza, A Carlantuono, M Retegan, P Glatzel Inorganic Chemistry 59 (17), 12518-12535, 2020 | 69 | 2020 |
Enhanced sorption of radionuclides by defect-rich graphene oxide N Boulanger, AS Kuzenkova, A Iakunkov, AY Romanchuk, AL Trigub, ... ACS applied materials & interfaces 12 (40), 45122-45135, 2020 | 67 | 2020 |
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 | 67 | 2016 |
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 | 64 | 2013 |
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 | 63 | 2015 |
Redox-responsive porphyrin-based molecular tweezers. A Iordache, M Retegan, F Thomas, G Royal, E Saint-Aman, C Bucher Chemistry (Weinheim an der Bergstrasse, Germany) 18 (25), 7648-7653, 2012 | 63 | 2012 |
2p x-ray absorption spectroscopy of 3d transition metal systems FMF de Groot, H Elnaggar, F Frati, R Wang, MU Delgado-Jaime, ... Journal of Electron Spectroscopy and Related Phenomena 249, 147061, 2021 | 62 | 2021 |
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 | 57 | 2016 |
Multilevel approaches within the local pair natural orbital framework M Sparta, M Retegan, P Pinski, C Riplinger, U Becker, F Neese Journal of chemical theory and computation 13 (7), 3198-3207, 2017 | 43 | 2017 |
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 | 41 | 2017 |
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 | 39 | 2014 |