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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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Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol |
Authors: Gennari, Marcello; Brazzolotto, Deborah; Pecaut, Jacques; Cherrier, Mickael V.; Pollock, Christopher J.; DeBeer, Serena; Retegan, Marius; Pantazis, Dimitrios A.; Neese, Frank; Rouzieres, Mathieu; Clerac, Rodolphe; Duboc, Carole | Date of Publication (YYYY-MM-DD): 2015 | Title of Journal: Journal of the American Chemical Society | Volume: 137 | Issue / Number: 26 | Start Page: 8644 | End Page: 8653 | Document Type: Article | ID: 712828.0 |
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Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations |
Authors: Gerey, Bertrand; Gennari, Marcello; Goure, Eric; Pecaut, Jacques; Blackman, Allan; Pantazis, Dimitrios A.; Neese, Frank; Molton, Florian; Fortage, Jerome; Duboc, Carole; Collomb, Marie-Noelle | Date of Publication (YYYY-MM-DD): 2015 | Title of Journal: Dalton Transactions | Volume: 44 | Issue / Number: 28 | Start Page: 12757 | End Page: 12770 | Document Type: Article | ID: 712829.0 |
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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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Bio-inspired thiolate metal complexes structural, spectroscopic and redox properties, reactivity |
Authors: Gennari, Marcello; Brazzolotto, Deborah; Orio, Maylis; Neese, Frank; van Gastel, Maurice; DeBeer, Serena; Pecaut, Jacques; Duboc, Carole | Date of Publication (YYYY-MM-DD): 2014 | Title of Journal: Journal of Biological Inorganic Chemistry | Volume: 19 | Issue / Number: Suppl. 2 | Start Page: S731 | End Page: S732 | Document Type: Article | ID: 704024.0 |
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New homo- and heteronuclear complexes of Manganese/Calcium, as models of the Oxygen-Evolving Center of Photosystem II |
Authors: Gerey, B.; Gennari, Marcello; Fortage, J.; Duboc, Carole; Collomb, Marie; Pecaut, Jacques; Martin-Diaconescu, Vlad; Neese, Frank; DeBeer, Serena | Date of Publication (YYYY-MM-DD): 2014 | Title of Journal: Journal of Biological Inorganic Chemistry | Volume: 19 | Issue / Number: Suppl. 1 | Start Page: S504 | End Page: S504 | Document Type: Article | ID: 704586.0 |
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Application of X-ray Absorption (XAS) and Emission (XES) Spectroscopies to the Calcium Centers of PSII Oxygen Evolving Complex Structural Analogs |
Authors: Martin-Diaconescu, Vlad; DeBeer, Serena; Gennari, Marcello; Gerey, B.; Duboc, Carole; Collomb, Marie; Tsui, E.; Kanady, J.; Agapie, Theodor; Tran, R.; Yano, Junko; Pecaut, Jacques | Date of Publication (YYYY-MM-DD): 2014 | Title of Journal: Journal of Biological Inorganic Chemistry | Volume: 19 | Issue / Number: Suppl. 1 | Start Page: S498 | End Page: S498 | Document Type: Article | ID: 708638.0 |
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