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Number of items: 3.

Beckwith, Martha A. and Ames, William and Vila, Fernando D. and Krewald, Vera and Pantazis, Dimitrios A. and Mantel, Claire and Pécaut, Jacques and Gennari, Marcello and Duboc, Carole and Collomb, Marie-Noëlle and Yano, Junko and Rehr, John J. and Neese, Frank and DeBeer, Serena (2015):
How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.
In: Journal of the American Chemical Society, pp. 12815-12834, 137, (40), ISSN 0002-7863,
DOI: 10.1021/jacs.5b00783,
[Online-Edition: https://doi.org/10.1021/jacs.5b00783],
[Article]

Lassalle-Kaiser, Benedikt and Boron, Thaddeus T. and Krewald, Vera and Kern, Jan and Beckwith, Martha A. and Delgado-Jaime, Mario U. and Schroeder, Henning and Alonso-Mori, Roberto and Nordlund, Dennis and Weng, Tsu-Chien and Sokaras, Dimosthenis and Neese, Frank and Bergmann, Uwe and Yachandra, Vittal K. and DeBeer, Serena and Pecoraro, Vincent L. and Yano, Junko (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.
In: Inorganic Chemistry, pp. 12915-12922, 52, (22), ISSN 0020-1669,
DOI: 10.1021/ic400821g,
[Online-Edition: https://doi.org/10.1021/ic400821g],
[Article]

Krewald, Vera and Lassalle-Kaiser, Benedikt and Boron, Thaddeus T. and Pollock, Christopher J. and Kern, Jan and Beckwith, Martha A. and Yachandra, Vittal K. and Pecoraro, Vincent L. and Yano, Junko and Neese, Frank and DeBeer, Serena (2013):
The Protonation States of Oxo-Bridged Mn(IV) Dimers Resolved by Experimental and Computational Mn K Pre-Edge X-ray Absorption Spectroscopy.
In: Inorganic Chemistry, pp. 12904-12914, 52, (22), ISSN 0020-1669,
DOI: 10.1021/ic4008203,
[Online-Edition: https://doi.org/10.1021/ic4008203],
[Article]

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