Per E. M. Siegbahn

Publication Activity (10 Years)

Years Active: 1978-2021
Publications (10 Years): 4

Top Topics

Generalized Belief Propagation

Iterative Algorithms

Competitive Learning

Convergence Speed

Top Venues

J. Comput. Chem.

Publications

Wen-Jie Wei, Per E. M. Siegbahn
The active E4 structure of nitrogenase studied with different DFT functionals. J. Comput. Chem. 42 (2) (2021)
Per E. M. Siegbahn
Is there computational support for an unprotonated carbon in the E4 state of nitrogenase? J. Comput. Chem. 39 (12) (2018)
Per E. M. Siegbahn, Xichen Li
Cluster size convergence for the energetics of the oxygen evolving complex in PSII. J. Comput. Chem. 38 (25) (2017)
Margareta R. A. Blomberg, Per E. M. Siegbahn
Improved free energy profile for reduction of NO in cytochrome c dependent nitric oxide reductase (cNOR). J. Comput. Chem. 37 (19) (2016)
S. A. De Marothy, Margareta R. A. Blomberg, Per E. M. Siegbahn
Elucidating the mechanism for the reduction of nitrite by copper nitrite reductase - A contribution from quantum chemical studies. J. Comput. Chem. 28 (2) (2007)
Margareta R. A. Blomberg, Per E. M. Siegbahn
Quantum chemistry applied to the mechanisms of transition metal containing enzymes - Cytochrome c oxidase, a particularly challenging case. J. Comput. Chem. 27 (12) (2006)
Tomasz Borowski, Ewa Broclawik, Christopher J. Schofield, Per E. M. Siegbahn
Epimerization and desaturation by carbapenem synthase (CarC). A hybrid DFT study. J. Comput. Chem. 27 (6) (2006)
Per E. M. Siegbahn, Alexander F. Shestakov
Quantum chemical modeling of CO oxidation by the active site of molybdenum CO dehydrogenase. J. Comput. Chem. 26 (9) (2005)
Marcus Lundberg, Per E. M. Siegbahn
Agreement between experiment and hybrid DFT calculations for OH bond dissociation enthalpies in manganese complexes. J. Comput. Chem. 26 (7) (2005)
Vladimir Pelmenschikov, Kyung-Bin Cho, Per E. M. Siegbahn
Class I ribonucleotide reductase revisited: The effect of removing a proton on Glu441. J. Comput. Chem. 25 (3) (2004)
Rajeev Prabhakar, Per E. M. Siegbahn
A comparison of the mechanism for the reductive half-reaction between pea seedling and other copper amine oxidases (CAOs). J. Comput. Chem. 24 (13) (2003)
Per E. M. Siegbahn
Modeling aspects of mechanisms for reactions catalyzed by metalloenzymes. J. Comput. Chem. 22 (14) (2001)
Per E. M. Siegbahn
Models for the description of the H3O+ and OH- ions in water. J. Comput. Chem. 17 (9) (1996)
Jan Almlöf, Björn Roos, Per E. M. Siegbahn
An MC-SCF computation scheme for large scale calculations on polyatomic systems. Comput. Chem. 2 (2) (1978)