Publikationen von Vera Krewald

Krewald, V.; Pantazis, D. A.: Understanding and tuning the properties of redox-accumulating manganese helicates. Dalton Transactions 45 (47), S. 18900 - 18908 (2016)

Krewald, V.; Neese, F.; Pantazis, D. A.: Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues. Physical Chemistry Chemical Physics 18 (16), S. 10739 - 10750 (2016)

Krewald, V.; Retegan, M.; Neese, F.; Lubitz, W.; Pantazis, D. A.; Cox, N.: Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst. Inorganic Chemistry 55 (2), S. 488 - 501 (2016)

Retegan, M.; Krewald, V.; Mamedov, F.; Neese, F.; Lubitz, W.; Cox, N.; Pantazis, D. A.: A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding. Chemical Science 7 (1), S. 72 - 84 (2016)

Krewald, V.; Neese, F.; Pantazis, D. A.: Resolving the Manganese Oxidation States in the Oxygen‐evolving Catalyst of Natural Photosynthesis. Israel Journal of Chemistry 55 (11-12), S. 1219 - 1232 (2015)

Beckwith, M. A.; Ames, W.; Vila, F. D.; Krewald, V.; Pantazis, D. A.; Mantel, C.; Pécaut, J.; Gennari, M.; Duboc, C.; Collomb, M.-N. et al.; Yano, J.; Rehr, J. J.; Neese, F.; DeBeer, S.: How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II. Journal of the American Chemical Society 137 (40), S. 12815 - 12834 (2015)

Krewald, V.; Retegan, M.; Cox, N.; Messinger, J.; Lubitz, W.; DeBeer, S.; Neese, F.; Pantazis, D. A.: Metal oxidation states in biological water splitting. Chemical Science 6 (3), S. 1676 - 1695 (2015)

Lohmiller, T.; Krewald, V.; Pérez Navarro, M.; Retegan, M.; Rapatskiy, L.; Nowaczyk, M. M.; Boussac, A.; Neese, F.; Lubitz, W.; Pantazis, D. A. et al.; Cox, N.: Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S₂ state: a combined EPR and DFT study. Physical Chemistry Chemical Physics 16 (24), S. 11877 - 11892 (2014)

Krewald, V.; Lasalle-Kaiser, B.; Boron III, T. T.; Pollock, C. J.; Kern, J.; Beckwith, M. A.; Yachanrda, V. K.; Pecoraro, V. L.; Yano, J.; Neese, F. et al.; DeBeer, S.: The Protonation States of Oxo-Bridged Mn^IV Dimers Resolved by Experimental and Computational Mn K Pre-Edge X-ray Absorption Spectroscopy. Inorganic Chemistry 52 (22), S. 12904 - 12914 (2013)

Lasalle-Kaiser, B.; Boron III, T. T.; Krewald, V.; Kern, J.; Beckwith, M. A.; Delgado-Jaime, M. U.; Schroeder, H.; Alonso-Mori, R.; Nordlund, D.; Weng, T.-C. et al.; Sokaras, D.; Neese, F.; Bergmann, U.; Yachandra, V. K.; DeBeer, S.; Pecoraro, V. L.; Yano, J.: Experimental and Computational X-ray Emission Spectroscopy as a Direct Probe of Protonation States in Oxo-Bridged Mn^IV Dimers Relevant to Redox-Active Metalloproteins. Inorganic Chemistry 52 (22), S. 12915 - 12922 (2013)

Krewald, V.; Neese, F.; Pantazis, D. A.: On the Magnetic and Spectroscopic Properties of High-Valent Mn₃CaO₄ Cubanes as Structural Units of Natural and Artificial Water-Oxidizing Catalysts. Journal of the American Chemical Society 135 (15), S. 5726 - 5739 (2013)

Krewald, V.; Retegan, M.; Pantazis, D. A.: Principles of Natural Photosynthesis. In: Topics in Current Chemistry 371-Solar Energy for Fuels, Bd. 371, S. 23 - 48 (Hg. Tüysüz, H.; Chan, C. K.). Springer, Cham (2016)