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Entries: 1-10  
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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
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
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
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
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
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
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
A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limit
Authors: Retegan, Marius; Collomb, Marie-Noëlle; Neese, Frank; Duboc, Carole
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Physical Chemistry Chemical Physics
Volume: 15
Start Page: 223
End Page: 234
Document Type: Article
ID: 682113.0
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: 1-10  
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