Elucidating the mechanism for the reduction of nitrite by copper nitrite reductase-A contribution from quantum chemical studies von De Marothy, S. A., Blomberg, M. R. A., Siegbahn, P. E. M.

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Quantum Chemical Studies of Proton-Coupled Electron Transfer in Metalloenzymes von Siegbahn, Per E. M, Blomberg, Margareta R. A

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Mechanism for N2O Generation in Bacterial Nitric Oxide Reductase: A Quantum Chemical Study von Blomberg, Margareta R. A, Siegbahn, Per E. M

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Syntheses and Structures of the First Lanthanide–Thiosulfate Complexes and the Subsequent Formation of Mixed Thiosulfate–Sulfite Compounds von Dalton, Evan Z, Blomberg, Wilson R, Villa, Eric M

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Energy Diagrams for Water Oxidation in Photosystem II Using Different Density Functionals von Siegbahn, Per E. M, Blomberg, Margareta R. A

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Density Functional Study of the O2 Binding to [CuI(TPAR)]+ (TPA = Tris(2-pyridylmethyl)amine) in THF and EtCN von Johansson, Adam Johannes, Blomberg, Margareta R. A, Siegbahn, Per E. M

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Oxyl Radical Required for O−O Bond Formation in Synthetic Mn-Catalyst von Lundberg, Marcus, Blomberg, Margareta R. A, Siegbahn, Per E. M

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Density Functional Study of the O 2 Binding to [Cu I (TPA R )] + (TPA = Tris(2-pyridylmethyl)amine) in THF and EtCN von Johansson, Adam Johannes, Blomberg, Margareta R. A., Siegbahn, Per E. M.

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Modeling water exchange on monomeric and dimeric Mn centers von Lundberg, Marcus, Blomberg, Margareta R. A., Siegbahn, Per E. M.

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Quantum Chemical Modeling of the Oxidation of Dihydroanthracene by the Biomimetic Nonheme Iron Catalyst [(TMC)FeIV(O)]2 von Johansson, Adam Johannes, Blomberg, Margareta R. A, Siegbahn, Per E. M

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A Systematic DFT Approach for Studying Mechanisms of Redox Active Enzymes von Siegbahn, Per E M, Blomberg, Margareta R A

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Halide ligand effects on the oxidative addition reaction of methane and hydrogen to second row transition metal complexes von Siegbahn, Per E. M, Blomberg, Margareta R. A

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Singlet and triplet energy surfaces of NiH2 von Blomberg, M. R. A., Siegbahn, P. E. M.

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Significant van der Waals Effects in Transition Metal Complexes von Siegbahn, Per E. M., Blomberg, Margareta R. A., Chen, Shi-Lu

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Potential energy surfaces of MH2 (M = Co, Fe, and Cu) von Siegbahn, P. E. M., Blomberg, M. R. A., Bauschlicher, C. W., Jr

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The dissociation of H2 on the Ni(100) surface von Siegbahn, P. E. M., Blomberg, M. R. A., Bauschlicher, C. W., Jr

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Reaction of second-row transition-metal atoms with methane von Svensson, Mats, Blomberg, Margareta R. A, Siegbahn, Per E. M

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Protonation of the binuclear active site in cytochrome c oxidase decreases the reduction potential of CuB von Blomberg, Margareta R.A., Siegbahn, Per E.M.

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Reaction Mechanism of Apocarotenoid Oxygenase (ACO): A DFT Study von Borowski, Tomasz, Blomberg, Margareta R. A., Siegbahn, Per E. M.

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Relative Acidities of Ortho-Substituted Phenols, as Models for Modified Tyrosines in Proteins von Himo, Fahmi, Noodleman, Louis, Blomberg, Margareta R. A, Siegbahn, Per E. M

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