Publikationen von Ragnar Bjornsson

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 60 (23), S. 18031 - 18047 (2021)
Zeitschriftenartikel
Ásgeirsson, V.; Birgisson, B. O.; Bjornsson, R.; Becker, U.; Neese, F.; Riplinger, C.; Jónsson, H.: Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following. Journal of Chemical Theory and Computation 17 (8), S. 4929 - 4945 (2021)
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 56 (3), S. 1470 - 1477 (2017)
2015
Zeitschriftenartikel
Bjornsson, R.; Neese, F.; Schrock, R. R.; Einsle, O.; DeBeer, S.: The discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry. Journal of Biological Inorganic Chemistry 20 (2), S. 447 - 460 (2015)
Zeitschriftenartikel
Bjornsson, R.; Delgado-Jaime, M. U.; Lima, F. A.; Sippel, D.; Schlesier, J.; Weyhermüller, T.; Einsle, O.; Neese, F.; DeBeer, S.: Molybdenum L‐Edge XAS Spectra of MoFe Nitrogenase. Zeitschrift für anorganische und allgemeine Chemie 641 (1), S. 65 - 71 (2015)
2014
Zeitschriftenartikel
Bjornsson, R.; Lima, F. A.; Spatzal, T.; Weyhermüller, T.; Glatzel, P.; Bill, E.; Einsle, O.; Neese, F.; DeBeer, S.: Identification of a spin-coupled Mo(III) in the nitrogenase iron–molybdenum cofactor. Chemical Science 5 (8), S. 3096 - 3103 (2014)
2013
Zeitschriftenartikel
Lima, F. A.; Bjornsson, R.; Weyhermüller, T.; Chandrasekaran, P.; Glatzel, P.; Neese, F.; DeBeer, S.: High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory. Physical Chemistry Chemical Physics 15 (48), S. 20911 - 20920 (2013)
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