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Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues |
Authors: Krewald, Vera Lucia; Neese, Frank; Pantazis, Dimitrios A. | Date of Publication (YYYY-MM-DD): 2016-04-28 | Title of Journal: Physical Chemistry Chemical Physics | Volume: 18 | Issue / Number: 16 | Start Page: 10739 | End Page: 10750 | Document Type: Article | ID: 722484.0 |
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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 |
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Resolving the Manganese Oxidation States in the Oxygen-evolving Catalyst of Natural Photosynthesis |
Authors: Krewald, Vera Lucia; Neese, Frank; Pantazis, Dimitrios A. | Date of Publication (YYYY-MM-DD): 2015 | Title of Journal: Israel Journal of Chemistry | Volume: 55 | Issue / Number: 11-12 | Start Page: 1219 | End Page: 1232 | Document Type: Article | ID: 712890.0 |
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Ca K-Edge XAS as a Probe of Calcium Centers in Complex Systems |
Authors: Martin-Diaconescu, Vlad; Gennari, Marcello; Gerey, Bertrand; Tsui, Emily; Kanady, Jacob; Tran, Rosalie; Pecaut, Jacques; Maganas, Dimitrios; Krewald, Vera Lucia; Goure, Eric; Duboc, Carole; Yano, Junko; Agapie, Theodor; Collomb, Marie-Noelle; DeBeer, Serena | Date of Publication (YYYY-MM-DD): 2015 | Title of Journal: Inorganic Chemistry | Volume: 54 | Issue / Number: 4 | Start Page: 1283 | End Page: 1292 | Document Type: Article | ID: 712917.0 |
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