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)

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)

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)