Mechanism of Oxygen Reduction in Cytochrome c Oxidase and the Role of the Active Site Tyrosine von Blomberg, Margareta R. A

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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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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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Quantum Chemical Studies of Mechanisms for Metalloenzymes von Blomberg, Margareta R. A, Borowski, Tomasz, Himo, Fahmi, Liao, Rong-Zhen, Siegbahn, Per E. M

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Can Reduction of NO to N2O in Cytochrome c Dependent Nitric Oxide Reductase Proceed through a Trans-Mechanism? von Blomberg, Margareta R. A

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The importance of exact exchange—A methodological investigation of NO reduction in heme–copper oxidases von Blomberg, Margareta R. A.

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How Is Methane Formed and Oxidized Reversibly When Catalyzed by Ni-Containing Methyl-Coenzyme M Reductase? von Chen, Shi-Lu, Blomberg, Margareta R. A., Siegbahn, Per E. M.

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Role of the Two Metals in the Active Sites of Heme Copper Oxidases–A Study of NO Reduction in cbb 3 Cytochrome c Oxidase von Blomberg, Margareta R. A

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How Is a Co-Methyl Intermediate Formed in the Reaction of Cobalamin-Dependent Methionine Synthase? Theoretical Evidence for a Two-Step Methyl Cation Transfer Mechanism von Chen, Shi-Lu, Blomberg, Margareta R. A, Siegbahn, Per E. M

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The Redox-Active Tyrosine Is Essential for Proton Pumping in Cytochrome c Oxidase von Blomberg, Margareta R A

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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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An investigation of possible competing mechanisms for Ni-containing methyl-coenzyme M reductase von Chen, Shi-Lu, Blomberg, Margareta R A, Siegbahn, Per 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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A Systematic DFT Approach for Studying Mechanisms of Redox Active Enzymes von Siegbahn, Per E M, Blomberg, Margareta R A

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DFT Study on the Catalytic Reactivity of a Functional Model Complex for Intradiol-Cleaving Dioxygenases von Georgiev, Valentin, Noack, Holger, Borowski, Tomasz, Blomberg, Margareta R. A, Siegbahn, Per E. M

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A combined picture from theory and experiments on water oxidation, oxygen reduction and proton pumping von Siegbahn, Per E M, Blomberg, Margareta R A

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Improved free energy profile for reduction of NO in cytochrome c dependent nitric oxide reductase (cNOR) von Blomberg, Margareta R. A., Siegbahn, Per E. M.

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Splitting of the O-O bond at the heme-copper catalytic site of respiratory oxidases von Poiana, Federica, von Ballmoos, Christoph, Gonska, Nathalie, Blomberg, Margareta R A, Ädelroth, Pia, Brzezinski, Peter

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Activation of O and NO in heme-copper oxidases - mechanistic insights from computational modelling von Blomberg, Margareta R. A

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