| 1 |
The Spectroscopy of Nitrogenases
Van Stappen C, Decamps L, Cutsail GE, Bjornsson R, Henthorn JT, Birrell JA, DeBeer S
Chemical Reviews, 120(12), 5005, 2020 |
| 2 |
Insensitivity of Magnetic Coupling to Ligand Substitution in a Series of Tetraoxolene Radical-Bridged Fe-2 Complexes
Thorarinsdottir AE, Bjornsson R, Harris TD
Inorganic Chemistry, 59(7), 4634, 2020 |
| 3 |
Quantum Mechanics/Molecular Mechanics Study of Resting-State Vanadium Nitrogenase: Molecular and Electronic Structure of the Iron-Vanadium Cofactor
Benediktsson B, Bjornsson R
Inorganic Chemistry, 59(16), 11514, 2020 |
| 4 |
Computational Mechanistic Study of [MoFe3S4] Cubanes for Catalytic Reduction of Nitrogenase Substrates
Thorhallsson AT, Bjornsson R
Inorganic Chemistry, 58(3), 1886, 2019 |
| 5 |
QM/MM Study of the Nitrogenase MoFe Protein Resting State: Broken-Symmetry States, Protonation States, and QM Region Convergence in the FeMoco Active Site
Benediktsson B, Bjornsson R
Inorganic Chemistry, 56(21), 13417, 2017 |
| 6 |
X-ray Absorption and Emission Spectroscopic Studies of [L2Fe2S2](n) Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron-Sulfur Clusters
Kowalska JK, Hahn AW, Albers A, Schiewer CE, Bjornsson R, Lima FA, Meyer F, DeBeer S
Inorganic Chemistry, 55(9), 4485, 2016 |
| 7 |
Dissociative Photoionization of 1-Halogenated Silacyclohexanes: Silicon Traps the Halogen
Bodi A, Sigurdardottir KL, Kvaran A, Bjornsson R, Arnason I
Journal of Physical Chemistry A, 120(46), 9188, 2016 |
| 8 |
Molecular Structure of 1,2-Bis(trifluoromethyl)-1,1,2,2-tetramethyldisilane in the Gas, Liquid, and Solid Phases: Unusual Conformational Changes between Phases
Masters SL, Robertson HE, Wann DA, Holbling M, Hassler K, Bjornsson R, Wallevik SO, Arnason I
Journal of Physical Chemistry A, 119(9), 1600, 2015 |
| 9 |
Electric field gradients of transition metal complexes: Basis set uncontraction and scalar relativistic effects
Bjornsson R, Buhl M
Chemical Physics Letters, 559, 112, 2013 |
| 10 |
Gas Phase Structures, Energetics, and Potential Energy Surfaces of Disilacyclohexanes
Arnason I, Gudnason PI, Bjornsson R, Oberhammer H
Journal of Physical Chemistry A, 115(35), 10000, 2011 |
