English

Beckwith, Martha A. ; Ames, William ; Vila, Fernando D. ; Krewald, Vera ; Pantazis, Dimitrios A. ; Mantel, Claire ; Pécaut, Jacques ; Gennari, Marcello ; Duboc, Carole ; Collomb, Marie-Noëlle ; Yano, Junko ; Rehr, John J. ; Neese, Frank ; 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, 137 (40), pp. 12815-12834. ISSN 0002-7863,
DOI: 10.1021/jacs.5b00783,
[Article]

Ames, William ; Pantazis, Dimitrios A. ; Krewald, Vera ; Cox, Nicholas ; Messinger, Johannes ; Lubitz, Wolfgang ; Neese, Frank (2011):
Theoretical Evaluation of Structural Models of the S2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions.
In: Journal of the American Chemical Society, 133 (49), pp. 19743-19757. ISSN 0002-7863,
DOI: 10.1021/ja2041805,
[Article]