Krewald, V.; Pantazis, D. A. Understanding and tuning the properties of redox-accumulating manganese helicates. Dalton Transactions2016, 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 Physics2016, 18, 10739–10750.
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 Science2016, 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 Chemistry2015, 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 Society2015, 137, 12815–12834.
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 MnIV Dimers Resolved by Experimental and Computational Mn K Pre-Edge X-ray Absorption Spectroscopy. Inorganic Chemistry2013, 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 MnIV Dimers Relevant to Redox-Active Metalloproteins. Inorganic Chemistry2013, 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 Society2013, 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.
Dr. Dimitrios Pantazis, Gruppenleiter am MPI für Kohlenforschung in der Abteilung für molekulare Theorie und Spektroskopie, ist zum Vizepräsidenten der QBIC Society gewählt worden.
Mit Hilfe von Multiskalen-Simulationsmethoden und modernsten quantenchemischen Berechnungen untersuchten Dr. Dimitrios Pantazis und seine Gruppe, wie die Energie des Sonnenlichts in den Elektronenfluss umgewandelt wird, der chemische Reaktionen antreibt.