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Entries: 1-10  
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How Do Ring Size and π-Donating Thiolate Ligands Affect Redox-Active, α-Imino-N-heterocycle Ligand Activation?
Authors: Leipzig, Benjamin K.; Rees, Julian A.; Kowalska, Joanna K.; Theisen, Roslyn M.; Kavcic, Matjaz; Poon, Penny Chaau Yan; Kaminsky, Werner; DeBeer, Serena; Bill, Eckhard; Kovacs, Julie A.
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Inorganic Chemistry
Volume: 57
Issue / Number: 4
Start Page: 1935
End Page: 1949
Document Type: Article
ID: 741023.0
Pair Natural Orbital Restricted Open-Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems
Authors: Maganas, Dimitrios; DeBeer, Serena; Neese, Frank
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of Physical Chemistry A
Volume: 122
Issue / Number: 5
Start Page: 1215
End Page: 1227
Document Type: Article
ID: 741025.0
Advanced X-ray Spectroscopic Methods for Studying Iron-Sulfur-Containing Proteins and Model Complexes
Authors: DeBeer, Serena
Title of Book: Methods Enzymol. Fe-S Cluster Enzymes Part B
Start Page: 427
End Page: 450
Publisher: Elsevier
Date of Publication (YYYY-MM-DD): 2018
Document Type: InBook
ID: 741040.0
Ab Initio Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-ray Absorption Spectra of Main Group Elements and First Row Transition Metals
Authors: Chantzis, Agisilaos; Kowalska, Joanna; Maganas, Dimitrios; DeBeer, Serena; Neese, Frank
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of Chemical Theory and Computation
Volume: 14
Issue / Number: 7
Start Page: 3686
End Page: 3702
Document Type: Article
ID: 743335.0
Advanced X-ray Spectroscopic Methods for Studying Iron-Sulfur-Containing Proteins and Model Complexes
Authors: DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Methods in Enzymology
Volume: 599
Start Page: 427
End Page: 450
Document Type: Article
ID: 743336.0
Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X-ray Scattering (RIXS)
Authors: Hahn, Anselm; Van Kuiken, Benjamin E.; Chilkuri, Vijay Gopal; Levin, Natalia; Bill, Eckhard; Weyhermüller, Thomas; Nicolaou, Alessandro; Miyawaki, Jun; Harada, Yoshihisa; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Inorganic Chemistry
Volume: 57
Issue / Number: 15
Start Page: 9515
End Page: 9530
Document Type: Article
ID: 743354.0
Sulfide Protects [FeFe] Hydrogenases From O-2
Authors: Rodriguez-Macia, Patricia; Reijerse, Edward J.; van Gastel, Maurice; DeBeer, Serena; Lubitz, Wolfgang; Rüdiger, Olaf; Birrell, James
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of the American Chemical Society
Volume: 140
Issue / Number: 30
Start Page: 9346
End Page: 9350
Document Type: Article
ID: 743399.0
Electronic Spectra of Iron-Sulfur Complexes Measured by 2p3d RIXS Spectroscopy
Authors: Van Kuiken, Benjamin; Hahn, Anselm; Nayyar, Brahamjot; Schiewer, Cristine; Lee, Sonny C.; Meyer, Franc; Weyhermüller, Thomas; Nicolaou, Allesandro; Cui, Yi-Tao; Miyawaki, Jun; Harada, Yoshihisa; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Inorganic Chemistry
Volume: 57
Issue / Number: 12
Start Page: 7355
End Page: 7361
Document Type: Article
ID: 743416.0
Investigations of the Magnetic and Spectroscopic Properties of V(III) and V(IV) Complexes
Authors: Van Stappen, Casey; Maganas, Dimitrios; DeBeer, Serena; Bill, Eckhard; Neese, Frank
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Inorganic Chemistry
Volume: 57
Issue / Number: 11
Start Page: 6421
End Page: 6438
Document Type: Article
ID: 743417.0
High-Resolution Extended X-ray Absorption Fine Structure Analysis Provides Evidence for a Longer Fe···Fe Distance in the Q Intermediate of Methane Monooxygenase.
Authors: Cutsail, George E.; Banerjee, Rahul; Zhou, Ang; Que, Lawrence J.; Lipscomb, John D.; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of the American Chemical Society
Volume: ?
Start Page: ?
End Page: ?
Document Type: Article
ID: 743987.0
Entries: 1-10  
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