Martin-Diaconescu, Vlad ; Gennari, Marcello ; Gerey, Bertrand ; Tsui, Emily ; Kanady, Jacob ; Tran, Rosalie ; Pécaut, Jacques ; Maganas, Dimitrios ; Krewald, Vera ; Gouré, Eric ; Duboc, Carole ; Yano, Junko ; Agapie, Theodor ; Collomb, Marie-Noelle ; DeBeer, Serena (2015)
Ca K-Edge XAS as a Probe of Calcium Centers in Complex Systems.
In: Inorganic Chemistry, 54 (4)
doi: 10.1021/ic501991e
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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)
doi: 10.1021/jacs.5b00783
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Lassalle-Kaiser, Benedikt ; Boron, Thaddeus T. ; Krewald, Vera ; Kern, Jan ; Beckwith, Martha A. ; Delgado-Jaime, Mario U. ; Schroeder, Henning ; Alonso-Mori, Roberto ; Nordlund, Dennis ; Weng, Tsu-Chien ; Sokaras, Dimosthenis ; Neese, Frank ; Bergmann, Uwe ; Yachandra, Vittal K. ; DeBeer, Serena ; Pecoraro, Vincent L. ; 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, 52 (22)
doi: 10.1021/ic400821g
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Krewald, Vera ; Lassalle-Kaiser, Benedikt ; Boron, Thaddeus T. ; Pollock, Christopher J. ; Kern, Jan ; Beckwith, Martha A. ; Yachandra, Vittal K. ; Pecoraro, Vincent L. ; Yano, Junko ; Neese, Frank ; 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, 52 (22)
doi: 10.1021/ic4008203
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