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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
Characterization of Oxygen Bridged Manganese Model Complexes Using Multifrequency O17-Hyperfine EPR Spectroscopies and Density Functional Theory
Authors: Rapatskiy, Leonid; Ames, William M.; Perez-Navarro, Montserrat; Savitsky, Anton; Griese, Julia J.; Weyhermüller, Thomas; Shafaat, Hannah S.; Högbom, Martin; Neese, Frank; Pantazis, Dimitrios A.; Cox, Nicholas
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Journal of Physical Chemistry B
Volume: 119
Issue / Number: 43
Start Page: 13904
End Page: 13921
Document Type: Article
ID: 713282.0
Light-induced water oxidation in photosynthesis.
Authors: Lubitz, Wolfgang; Cox, Nicholas; Rapatskiy, Leonid; Lohmiller, Thomas; Perez-Navarro, Montserrat; Ames, William M.; Pantazis, Dimitrios A.; Neese, Frank; Boussac, N.; Messinger, Johannes
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Journal of Biological Inorganic Chemistry
Volume: 19
Issue / Number: Suppl. 1
Start Page: S350
End Page: S350
Document Type: Article
ID: 708203.0
BS-DFT calculations of μ-oxo bridge EPR parameters applied to MnMnIII-MnIV model complexes and Photosystem II.
Authors: Ames, William M.; Rapatskiy, Leonid; Savitsky, Anton; Weyhermüller, Thomas; Neese, Frank; Lubitz, Wolfgang; Cox, Nicholas
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Abstracts of Papers of the American Chemical Society
Volume: 247
Start Page: 873-INOR
End Page: 873-INOR
Document Type: Article
ID: 709072.0
EPR Spectroscopy and the Electronic Structure of the Oxygen-Evolving Complex of Photosystem II
Authors: Lohmiller, Thomas; Ames, William M.; Lubitz, Wolfgang; Cox, Nicholas; Misra, Sushil K.
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Applied Magnetic Resonance
Volume: 44
Issue / Number: 6
Start Page: 691
End Page: 720
Document Type: Article
ID: 682083.0
Ammonia binding to the oxygen-evolving complex of photosystem II identifies the solvent-exchangeable oxygen bridge (mu-oxo) of the manganese tetramer
Authors: Perez-Navarro, Montserrat; Ames, William M.; Nilsson, Hakan; Lohmiller, Thomas; Pantazis, Dimitrios A.; Rapatskiy, Leonid; Nowaczyk, Marc M.; Neese, Frank; Boussac, Alain; Messinger, Johannes; Lubitz, Wolfgang; Cox, Nicholas
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Proceedings of the National Academy of Sciences of the United States of America
Volume: 110
Start Page: 15561
End Page: 15566
Document Type: Article
ID: 682099.0
Two Interconvertible Structures that Explain the Spectroscopic Properties of the Oxygen-Evolving Complex of Photosystem II in the S 2 State
Authors: Pantazis, Dimitrios A.; Ames, William M.; Cox, Nicholas; Lubitz, Wolfgang; Neese, Frank
Date of Publication (YYYY-MM-DD): 2012-06-14
Title of Journal: Angewandte Chemie International Edition
Volume: 51
Start Page: 9935
End Page: 9940
Document Type: Article
ID: 634579.0
Detection of the Water-Binding Sites of the Oxygen-Evolving Complex of Photosystem II Using W-Band 17O Electron-Electron Double Resonance-Detected NMR Spectroscopy
Authors: Rapatskiy, Leonid; Cox, Nicholas; Savitsky, Anton; Ames, William M.; Sander, Julia; Nowaczyk, Marc M.; Rögner, Matthias; Boussac, Alain; Neese, Frank; Messinger, Johannes; Lubitz, Wolfgang
Date of Publication (YYYY-MM-DD): 2012-06-14
Title of Journal: Journal of the American Chemical Society
Volume: 134
Issue / Number: 40
Start Page: 16619
End Page: 16634
Document Type: Article
ID: 634584.0
Zwei ineinander umwandelbare Strukturen erklären die spektroskopischen Eigenschaften des Wasser oxidierenden Enzyms des Photosystems II im S2-Zustand
Authors: Pantazis, Dimitrios A.; Ames, William M.; Cox, Nicholas; Lubitz, Wolfgang; Neese, Frank
Date of Publication (YYYY-MM-DD): 2012-06-14
Title of Journal: Angewandte Chemie
Volume: 124
Issue / Number: 39
Start Page: 10074
End Page: 10079
Document Type: Article
ID: 634915.0
Electronic Structure of a Weakly Antiferromagnetically Coupled MnIIMnIII Model Relevant to Manganese Proteins: A Combined EPR, 55Mn-ENDOR, and DFT Study
Authors: Cox, Nicholas; Ames, William M.; Epel, Boris; Kulik, Leonid V.; Rapatskiy, Leonid; Neese, Frank; Messinger, Johannes; Wieghardt, Karl; Lubitz, Wolfgang
Date of Publication (YYYY-MM-DD): 2011
Title of Journal: Inorganic Chemistry
Volume: 50
Start Page: 8238
End Page: 8251
Document Type: Article
ID: 577462.0
Entries: 1-10  
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