Publications of Ragnar Bjornsson
All genres
Journal Article (7)
2021
Journal Article
60 (23), pp. 18031 - 18047 (2021)
Carbon Monoxide Binding to the Iron–Molybdenum Cofactor of Nitrogenase: a Detailed Quantum Mechanics/Molecular Mechanics Investigation. Inorganic Chemistry
Journal Article
17 (8), pp. 4929 - 4945 (2021)
Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following. Journal of Chemical Theory and Computation 2017
Journal Article
56 (3), pp. 1470 - 1477 (2017)
Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge. Inorganic Chemistry 2015
Journal Article
20 (2), pp. 447 - 460 (2015)
The discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry. Journal of Biological Inorganic Chemistry
Journal Article
641 (1), pp. 65 - 71 (2015)
Molybdenum L‐Edge XAS Spectra of MoFe Nitrogenase. Zeitschrift für anorganische und allgemeine Chemie 2014
Journal Article
5 (8), pp. 3096 - 3103 (2014)
Identification of a spin-coupled Mo(III) in the nitrogenase iron–molybdenum cofactor. Chemical Science 2013
Journal Article
15 (48), pp. 20911 - 20920 (2013)
High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory. Physical Chemistry Chemical Physics