Publikationen von Ragnar Bjornsson
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Zeitschriftenartikel (7)
2021
Zeitschriftenartikel
Spiller, N.; Bjornsson, R.; DeBeer, S.; Neese, F. Carbon Monoxide Binding to the Iron–Molybdenum Cofactor of Nitrogenase: a Detailed Quantum Mechanics/Molecular Mechanics Investigation. Inorganic Chemistry 2021, 60, 18031–18047.
Zeitschriftenartikel
Bjornsson, R.; Becker, U.; Neese, F.; ; Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following. Journal of Chemical Theory and Computation 2021, 17, 4929–4945.
; ; 2017
Zeitschriftenartikel
Bjornsson, R.; Neese, F.; DeBeer, S. Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge. Inorganic Chemistry 2017, 56, 1470–1477.
2015
Zeitschriftenartikel
Bjornsson, R.; Neese, F.; ; ; DeBeer, S. The discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry. Journal of Biological Inorganic Chemistry 2015, 20, 447–460.
Zeitschriftenartikel
Bjornsson, R.; Delgado-Jaime, M. U.; Lima, F. A.; ; ; Weyhermüller, T.; ; Neese, F.; DeBeer, S. Molybdenum L‐Edge XAS Spectra of MoFe Nitrogenase. Zeitschrift für anorganische und allgemeine Chemie 2015, 641, 65–71.
2014
Zeitschriftenartikel
Bjornsson, R.; Lima, F. A.; ; Weyhermüller, T.; ; Bill, E.; ; Neese, F.; DeBeer, S. Identification of a spin-coupled Mo(III) in the nitrogenase iron–molybdenum cofactor. Chemical Science 2014, 5, 3096–3103.
2013
Zeitschriftenartikel
Lima, F. A.; Bjornsson, R.; Weyhermüller, T.; ; ; Neese, F.; DeBeer, S. High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory. Physical Chemistry Chemical Physics 2013, 15, 20911–20920.