Ragnar Björnsson

Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following

Vilhjálmur Ásgeirsson, Benedikt O. Birgisson, Ragnar Björnsson et al. · Journal of Chemical Theory and Computation · 2021 · 397 citations

Chemical Kinetics, Engineering, Computational Chemistry +16

Identification of a spin-coupled Mo(<scp>iii</scp>) in the nitrogenase iron–molybdenum cofactor

Ragnar Björnsson, Frederico A. Lima, Thomas Spatzal et al. · Chemical Science · 2014 · 182 citations · Full text

X-ray Crystallography, Magnetic Properties, Engineering +21

Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge

Ragnar Björnsson, Frank Neese, Serena DeBeer · Inorganic Chemistry · 2017 · 149 citations · Full text

NMR Spectroscopic and Theoretical Analysis of a Spontaneously Formed Lys–Asp Isopeptide Bond

Robert M. Hagan, Ragnar Björnsson, S.A. McMahon et al. · Angewandte Chemie International Edition · 2010 · 112 citations · Full text

QM/MM Study of the Nitrogenase MoFe Protein Resting State: Broken-Symmetry States, Protonation States, and QM Region Convergence in the FeMoco Active Site

Bardi Benediktsson, Ragnar Björnsson · Inorganic Chemistry · 2017 · 97 citations · Full text