Publikationen von Vera Krewald

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

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 2016, 18, 10739–10750.

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 2016, 55, 488–501.

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 2016, 7, 72–84.

Krewald, V.; Neese, F.; Pantazis, D. A. Resolving the Manganese Oxidation States in the Oxygen‐evolving Catalyst of Natural Photosynthesis. Israel Journal of Chemistry 2015, 55, 1219–1232.

Beckwith, M. A.; Ames, W.; Vila, F. D.; Krewald, V.; Pantazis, D. A.; Mantel, C.; Pécaut, J.; Gennari, M.; Duboc, C.; Collomb, M.-N.; 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 2015, 137, 12815–12834.

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 2015, 6, 1676–1695.

Lohmiller, T.; Krewald, V.; Pérez Navarro, M.; Retegan, M.; Rapatskiy, L.; Nowaczyk, M. M.; Boussac, A.; Neese, F.; Lubitz, W.; Pantazis, D. A.; 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 2014, 16, 11877–11892.

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.; 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 2013, 52, 12904–12914.

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.; 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 2013, 52, 12915–12922.

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 2013, 135, 5726–5739.

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