| 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 | 340 | 2015 |
| Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of photosystem II: protonation states and magnetic interactions W Ames, DA Pantazis, V Krewald, N Cox, J Messinger, W Lubitz, F Neese Journal of the American Chemical Society 133 (49), 19743-19757, 2011 | 318 | 2011 |
| 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, 2016 | 195 | 2016 |
| 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 | 118 | 2010 |
| 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, 2016 | 115 | 2016 |
| Metal‐Ligand Cooperative Synthesis of Benzonitrile by Electrochemical Reduction and Photolytic Splitting of Dinitrogen F Schendzielorz, M Finger, J Abbenseth, C Würtele, V Krewald, ... Angewandte Chemie International Edition 58 (3), 830-834, 2019 | 100 | 2019 |
| 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 | 98 | 2014 |
| On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalysts V Krewald, F Neese, DA Pantazis Journal of the American Chemical Society 135 (15), 5726-5739, 2013 | 98 | 2013 |
| The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge T Lohmiller, V Krewald, A Sedoud, AW Rutherford, F Neese, W Lubitz, ... Journal of the American Chemical Society 139 (41), 14412-14424, 2017 | 78 | 2017 |
| Principles of natural photosynthesis V Krewald, M Retegan, DA Pantazis Solar Energy for Fuels, 23-48, 2015 | 76 | 2015 |
| Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed … M Roemelt, V Krewald, DA Pantazis Journal of chemical theory and computation 14 (1), 166-179, 2018 | 73 | 2018 |
| Experimental and Computational X-ray Emission Spectroscopy as a Direct Probe of Protonation States in Oxo-Bridged MnIV Dimers Relevant to Redox-Active Metalloproteins B Lassalle-Kaiser, TT Boron III, V Krewald, J Kern, MA Beckwith, ... Inorganic chemistry 52 (22), 12915-12922, 2013 | 70 | 2013 |
| Active Site Identification in FeNC Catalysts and Their Assignment to the Oxygen Reduction Reaction Pathway by In Situ 57Fe Mössbauer Spectroscopy L Ni, C Gallenkamp, S Paul, M Kübler, P Theis, S Chabbra, K Hofmann, ... Advanced Energy and Sustainability Research 2 (2), 2000064, 2021 | 62 | 2021 |
| The Protonation States of Oxo-Bridged MnIV Dimers Resolved by Experimental and Computational Mn K Pre-Edge X-ray Absorption Spectroscopy V Krewald, B Lassalle-Kaiser, TT Boron III, CJ Pollock, J Kern, ... Inorganic chemistry 52 (22), 12904-12914, 2013 | 62 | 2013 |
| Identification of the catalytically dominant iron environment in iron-and nitrogen-doped carbon catalysts for the oxygen reduction reaction L Ni, C Gallenkamp, S Wagner, E Bill, V Krewald, UI Kramm Journal of the American Chemical Society 144 (37), 16827-16840, 2022 | 56 | 2022 |
| Ca K-edge XAS as a probe of calcium centers in complex systems V Martin-Diaconescu, M Gennari, B Gerey, E Tsui, J Kanady, R Tran, ... Inorganic chemistry 54 (4), 1283-1292, 2015 | 53 | 2015 |
| Redox potential tuning by redox-inactive cations in Nature’s water oxidizing catalyst and synthetic analogues V Krewald, F Neese, D Pantazis Physical Chemistry Chemical Physics, 2016 | 51 | 2016 |
| How accurately can extended X-ray absorption spectra be predicted from first principles? Implications for modeling the oxygen-evolving complex in photosystem II MA Beckwith, W Ames, FD Vila, V Krewald, DA Pantazis, C Mantel, ... Journal of the American Chemical Society 137 (40), 12815-12834, 2015 | 37 | 2015 |
| Cyanate formation via photolytic splitting of dinitrogen B Schluschaß, JH Borter, S Rupp, S Demeshko, C Herwig, C Limberg, ... Jacs Au 1 (6), 879-894, 2021 | 35 | 2021 |
| Calibration of computational Mössbauer spectroscopy to unravel active sites in FeNC catalysts for the oxygen reduction reaction C Gallenkamp, UI Kramm, J Proppe, V Krewald International Journal of Quantum Chemistry, e26394, 2020 | 35 | 2020 |
Dimitrios A. PantazisMax-Planck-Institut für KohlenforschungEmail verificata su kofo.mpg.de