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Entries: 1-10  
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QM/MM calculations reveal a bridging hydroxo group in a vanadium nitrogenase crystal structure
Authors: Benediktsson, Benediktsson; Thorhallsson, Albert; Bjornsson, Ragnar
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Chemical Communications
Volume: 54
Issue / Number: 53
Start Page: 7310
End Page: 7313
Document Type: Article
ID: 743326.0
Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge
Authors: Bjornsson, Ragnar; Neese, Frank; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Inorganic Chemistry
Volume: 56
Issue / Number: 3
Start Page: 1470
End Page: 1477
Document Type: Article
ID: 733839.0
Comparative electronic structures of nitrogenase FeMoco and FeVco
Authors: Rees, Julian A.; Bjornsson, Ragnar; Kowalska, Joanna K.; Lima, Frederico A.; Schlesier, Julia; Sippel, Daniel; Weyhermüller, Thomas; Einsle, Oliver; Kovacs, Julie A.; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Dalton Transactions
Volume: 46
Issue / Number: 8
Start Page: 2445
End Page: 2455
Document Type: Article
ID: 733994.0
X-ray Absorption and Emission Spectroscopic Studies of [L2Fe2S2]n Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron-Sulfur Clusters
Authors: Kowalska, Joanna; Hahn, Anselm W.; Albers, Antonia; Schiewer, Christine E.; Bjornsson, Ragnar; Lima, Frederico A.; Meyer, Franc; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2016-05-02
Title of Journal: Inorganic Chemistry
Volume: 55
Issue / Number: 9
Start Page: 4485
End Page: 4497
Document Type: Article
ID: 722483.0
Molybdenum L-Edge XAS Spectra of MoFe Nitrogenase
Authors: Bjornsson, Ragnar; Delgado-Jaime, Mario Ulises; Lima, Frederico A.; Sippel, Daniel; Schlesier, Julia; Weyhermüller, Thomas; Einsle, Oliver; Neese, Frank; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Zeitschrift fur Anorganische und Allgemeine Chemie
Volume: 641
Issue / Number: 1 Sp. Iss. SI
Start Page: 65
End Page: 71
Document Type: Article
ID: 712719.0
The discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry
Authors: Bjornsson, Ragnar; Neese, Frank; Schrock, Richard R.; Einsle, Oliver; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Journal of Biological Inorganic Chemistry
Volume: 20
Issue / Number: 2
Start Page: 447
End Page: 460
Document Type: Article
ID: 712720.0
Molecular Structure of 1,2-Bis(trifluoromethyl)-1,1,2,2-tetramethyldisilane in the Gas, Liquid, and Solid Phases: Unusual Conformational Changes between Phases
Authors: Masters, Sarah L.; Robertson, Heather E; Wann, Derek A.; Hölbling, Margit; Hassler, Karl; Bjornsson, Ragnar; Wallevik, Sunna O; Arnason, Ingvar
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Journal of Physical Chemistry A
Volume: 119
Issue / Number: 9
Start Page: 1600
End Page: 1608
Document Type: Article
ID: 712920.0
The Fe-V Cofactor of Vanadium Nitrogenase Contains an Interstitial Carbon Atom
Authors: Rees, Julian A.; Bjornsson, Ragnar; Schlesier, Julia; Sippel, Daniel; Einsle, Oliver; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Angewandte Chemie-International Edition
Volume: 54
Issue / Number: 45
Start Page: 13249
End Page: 13252
Document Type: Article
ID: 713283.0
Identification of a spin-coupled Mo(III) in the nitrogenase iron-molybdenum cofactor
Authors: Bjornsson, Ragnar; Lima, Frederico A.; Spatzal, Thomas; Weyhermüller, Thomas; Glatzel, Pieter; Bill, Eckhard; Einsle, Oliver; Neese, Frank; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Chemical Science
Volume: 5
Issue / Number: 8
Start Page: 3096
End Page: 3103
Document Type: Article
ID: 697870.0
Density Functional Study of Interactions between Fluorinated Cyclohexanes and Arenes
Authors: Cormanich, Rodrigo A.; Durie, Alastair; Bjornsson, Ragnar; Rittner, Roberto; O'Hagan, David; Bühl, Michael
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Helvetica Chimica Acta
Volume: 97
Issue / Number: 6
Start Page: 797
End Page: 807
Document Type: Article
ID: 697881.0
Entries: 1-10  
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