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Entries: 1-5  
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How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II
Authors: Beckwith, Martha A.; Ames, William M.; Vila, Fernando D.; Krewald, Vera Lucia; Pantazis, Dimitrios A.; Mantel, Claire; Pecaut, Jacques; Gennari, Marcell; Duboc, Carole; Collomb, Marie-Noelle; Yano, Junko; Rehr, John J.; Neese, Frank; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Journal of the American Chemical Society
Volume: 137
Issue / Number: 40
Start Page: 12815
End Page: 12834
Document Type: Article
ID: 712718.0
The Protonation States of Oxo-Bridged MnIV Dimers Resolved by Experimental and Computational Mn K Pre-Edge X-ray Absorption Spectroscopy
Authors: 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
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Inorganic Chemistry
Volume: 52
Start Page: 12904
End Page: 12914
Document Type: Article
ID: 681952.0
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.
Authors: Lassalle-Kaiser, Benedikt; Boron, Thaddeus T.; Krewald, Vera; Kern, Jan; Beckwith, Martha A.; Delgado-Jaime, Mario Ulises; 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
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Inorganic Chemistry
Volume: 52
Issue / Number: 22
Start Page: 12915
End Page: 12922
Document Type: Article
ID: 682079.0
Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal-Ligand Interactions in Coordination Compounds
Authors: Römelt, Michael; Beckwith, Martha A.; Duboc, Carole; Collomb, Marie-Noëlle; Neese, Frank; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2012-06-13
Title of Journal: Inorganic Chemistry
Volume: 51
Start Page: 680
End Page: 687
Document Type: Article
ID: 634592.0
Manganese K ßX-ray Emission Spectroscopy As a Probe of Metal-Ligand Interactions
Authors: Beckwith, Martha A.; Römelt, Michael; Collomb, Marie-Noëlle; DuBoc, Carole; Weng, Tsu-Chien; Bergmann, Uwe; Glatzel, Pieter; Neese, Frank; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2011
Title of Journal: Inorganic Chemistry
Volume: 50
Start Page: 8397
End Page: 8409
Document Type: Article
ID: 577106.0
Entries: 1-5  
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