Per E. M. Siegbahn

According to our database, Per E. M. Siegbahn authored at least 15 papers between 1978 and 2024.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2024

Sulfide release and rebinding in the mechanism for nitrogenase.

Per E. M. Siegbahn

J. Comput. Chem., December, 2024

2021

The active E4 structure of nitrogenase studied with different DFT functionals.

Wen-Jie Wei, Per E. M. Siegbahn

J. Comput. Chem., 2021

2018

Is there computational support for an unprotonated carbon in the E4 state of nitrogenase?

Per E. M. Siegbahn

J. Comput. Chem., 2018

2017

Cluster size convergence for the energetics of the oxygen evolving complex in PSII.

Per E. M. Siegbahn, Xichen Li

J. Comput. Chem., 2017

2016

Improved free energy profile for reduction of NO in cytochrome c dependent nitric oxide reductase (cNOR).

Margareta R. A. Blomberg, Per E. M. Siegbahn

J. Comput. Chem., 2016

2007

Elucidating the mechanism for the reduction of nitrite by copper nitrite reductase - A contribution from quantum chemical studies.

S. A. De Marothy, Margareta R. A. Blomberg, Per E. M. Siegbahn

J. Comput. Chem., 2007

2006

Epimerization and desaturation by carbapenem synthase (CarC). A hybrid DFT study.

Tomasz Borowski, Ewa Broclawik, Christopher J. Schofield, Per E. M. Siegbahn

J. Comput. Chem., 2006

Quantum chemistry applied to the mechanisms of transition metal containing enzymes - Cytochrome c oxidase, a particularly challenging case.

Margareta R. A. Blomberg, Per E. M. Siegbahn

J. Comput. Chem., 2006

2005

Quantum chemical modeling of CO oxidation by the active site of molybdenum CO dehydrogenase.

Per E. M. Siegbahn, Alexander F. Shestakov

J. Comput. Chem., 2005

Agreement between experiment and hybrid DFT calculations for OH bond dissociation enthalpies in manganese complexes.

Marcus Lundberg, Per E. M. Siegbahn

J. Comput. Chem., 2005

2004

Class I ribonucleotide reductase revisited: The effect of removing a proton on Glu441.

Vladimir Pelmenschikov, Kyung-Bin Cho, Per E. M. Siegbahn

J. Comput. Chem., 2004

2003

A comparison of the mechanism for the reductive half-reaction between pea seedling and other copper amine oxidases (CAOs).

Rajeev Prabhakar, Per E. M. Siegbahn

J. Comput. Chem., 2003

2001

Modeling aspects of mechanisms for reactions catalyzed by metalloenzymes.

Per E. M. Siegbahn

J. Comput. Chem., 2001

1996

Models for the description of the H3O+ and OH- ions in water.

Per E. M. Siegbahn

J. Comput. Chem., 1996

1978

An MC-SCF computation scheme for large scale calculations on polyatomic systems.

Jan Almlöf, Björn Roos, Per E. M. Siegbahn

Comput. Chem., 1978