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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 |
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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 |
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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 |
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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 |
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