| 1 |
Insights into the Chemical Reactivity in Acetyl-CoA Synthase
Chen SL, Siegbahn PEM
Inorganic Chemistry, 59(20), 15167, 2020 |
| 2 |
Theoretical Study of O-2 Reduction and Water Oxidation in Multicopper Oxidases
Siegbahn PEM
Journal of Physical Chemistry A, 124(28), 5849, 2020 |
| 3 |
Energetics for Proton Reduction in FeFe Hydrogenase
Siegbahn PEM, Liao RZ
Journal of Physical Chemistry A, 124(50), 10540, 2020 |
| 4 |
A Theoretical Study of the Recently Suggested Mn-VII Mechanism for O-O Bond Formation in Photosystem II
Li XC, Li J, Siegbahn PEM
Journal of Physical Chemistry A, 124(39), 8011, 2020 |
| 5 |
Energetics for the Mechanism of Nickel-Containing Carbon Monoxide Dehydrogenase
Liao RZ, Siegbahn PEM
Inorganic Chemistry, 58(12), 7931, 2019 |
| 6 |
A Major Structural Change of the Homocitrate Ligand of Probable Importance for the Nitrogenase Mechanism
Siegbahn PEM
Inorganic Chemistry, 57(3), 1090, 2018 |
| 7 |
Metal-Ligand Cooperation in Single-Site Ruthenium Water Oxidation Catalysts: A Combined Experimental and Quantum Chemical Approach
Karkas MD, Li YY, Siegbahn PEM, Liao RZ, Akermark B
Inorganic Chemistry, 57(17), 10881, 2018 |
| 8 |
Computational investigations of S-3 structures related to a recent X-ray free electron laser study
Siegbahn PEM
Chemical Physics Letters, 690, 172, 2017 |
| 9 |
Theoretical Study of the Mechanism of the Nonheme Iron Enzyme EgtB
Wei WJ, Siegbahn PEM, Liao RZ
Inorganic Chemistry, 56(6), 3589, 2017 |
| 10 |
Possible water association and oxidation mechanisms for a recently synthesized Mn4Ca-complex
Liao RZ, Siegbahn PEM
Journal of Catalysis, 354, 169, 2017 |
