Researcher Portfolio

Dr. Krewald, Vera Lucia

Research Department Neese, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society, Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society

Researcher Profile

Position: Research Department Neese, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society

Position: Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society

Researcher ID: https://pure.mpg.de/cone/persons/resource/persons237626

External references

WorldCat Search for Krewald, Vera Lucia

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Publications

: Ni, L., Gallenkamp, C., Wagner, S., Bill, E., Krewald, V., & Kramm, U. I. (2022). Identification of the Catalytically Dominant Iron Environment in Iron- and Nitrogen-Doped Carbon Catalysts for the Oxygen Reduction Reaction. Journal of the American Chemical Society, (144), 16827-16840. doi:10.1021/jacs.2c04865. [PubMan] : Römelt, M., Krewald, V. L., & Pantazis, D. A. (2018). Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex. Journal of Chemical Theory and Computation, 14(1), 166-179. doi:10.1021/acs.jctc.7b01035. [PubMan] : Krewald, V., & Pantazis, D. A. (2016). Understanding and tuning the properties of redox-accumulating manganese helicates. Dalton Transactions, 45(47), 18900-18908. doi:10.1039/C6DT02800D. [PubMan] : Krewald, V., Neese, F., & Pantazis, D. A. (2016). Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues. Physical Chemistry Chemical Physics, 18(16), 10739-10750. doi:10.1039/C5CP07213A. [PubMan] : Krewald, V., Retegan, M., Neese, F., Lubitz, W., Pantazis, D. A., & Cox, N. (2016). Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst. Inorganic Chemistry, 55(2), 488-501. doi:10.1021/acs.inorgchem.5b02578. [PubMan] : Krewald, V., Retegan, M., & Pantazis, D. A. (2016). Principles of Natural Photosynthesis. In H. Tüysüz, & C. K. Chan (Eds.), Topics in Current Chemistry 371-Solar Energy for Fuels (pp. 23-48). Cham: Springer. [PubMan] : Retegan, M., Krewald, V., Mamedov, F., Neese, F., Lubitz, W., Cox, N., & Pantazis, D. A. (2016). A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding. Chemical Science, 7(1), 72-84. doi:10.1039/C5SC03124A. [PubMan] : Krewald, V., Neese, F., & Pantazis, D. A. (2015). Resolving the Manganese Oxidation States in the Oxygen‐evolving Catalyst of Natural Photosynthesis. Israel Journal of Chemistry, 55(11-12), 1219-1232. doi:10.1002/ijch.201500051. [PubMan] : 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. (2015). 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), 12815-12834. doi:10.1021/jacs.5b00783. [PubMan] : Krewald, V., Retegan, M., Cox, N., Messinger, J., Lubitz, W., DeBeer, S., Neese, F., & Pantazis, D. A. (2015). Metal oxidation states in biological water splitting. Chemical Science, 6(3), 1676-1695. doi:10.1039/C4SC03720K. [PubMan] : 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. (2014). 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), 11877-11892. doi:10.1039/C3CP55017F. [PubMan] : Krewald, V. L. (2014). Insight into Photosynthetic Water Oxidation through Theoretical Spectroscopy. PhD Thesis, Reinische Friedrich-Wilhelm-Universität, Bonn. [PubMan] : 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. (2013). 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), 12904-12914. doi:10.1021/ic4008203. [PubMan] : 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. (2013). 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), 12915-12922. doi:10.1021/ic400821g. [PubMan] : Krewald, V., Neese, F., & Pantazis, D. A. (2013). 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), 5726-5739. doi:10.1021/ja312552f. [PubMan]