Structures and Energetics for O2 Formation in Photosystem II von Siegbahn, Per E. M

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The S2 to S3 transition for water oxidation in PSII (photosystem II), revisited von Siegbahn, Per E M

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Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution von Su, Xiao-Jun, Gao, Meng, Jiao, Lei, Liao, Rong-Zhen, Siegbahn, Per E. M., Cheng, Jin-Pei, Zhang, Ming-Tian

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Substrate Water Exchange for the Oxygen Evolving Complex in PSII in the S1, S2, and S3 States von Siegbahn, Per E. M

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A Structure-Consistent Mechanism for Dioxygen Formation in Photosystem II von Siegbahn, Per E. M.

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A Major Structural Change of the Homocitrate Ligand of Probable Importance for the Nitrogenase Mechanism von Siegbahn, Per E. M

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Energetics for the Mechanism of Nickel-Containing Carbon Monoxide Dehydrogenase von Liao, Rong-Zhen, Siegbahn, Per E. M

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Recent developments of the quantum chemical cluster approach for modeling enzyme reactions von Siegbahn, Per E. M, Himo, Fahmi

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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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Energetics for Proton Reduction in FeFe Hydrogenase von Siegbahn, Per E. M, Liao, Rong-Zhen

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Computational Studies of [NiFe] and [FeFe] Hydrogenases von Siegbahn, Per E. M, Tye, Jesse W, Hall, Michael B

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The Effect of Backbone Constraints: The Case of Water Oxidation by the Oxygen-Evolving Complex in PSII von Siegbahn, Per E. M.

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Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis von Liao, Rong‐Zhen, Siegbahn, Per E. M.

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The mechanism for nitrogenase including all steps von Siegbahn, Per E. M

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Mechanism of Water Oxidation Catalyzed by a Mononuclear Manganese Complex von Li, Ying‐Ying, Ye, Ke, Siegbahn, Per E. M., Liao, Rong‐Zhen

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Model Calculations Suggest that the Central Carbon in the FeMo-Cofactor of Nitrogenase Becomes Protonated in the Process of Nitrogen Fixation von Siegbahn, Per E. M

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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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An Energetic Comparison of Different Models for the Oxygen Evolving Complex of Photosystem II von Siegbahn, Per E. M

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The performance of hybrid DFT for mechanisms involving transition metal complexes in enzymes von Siegbahn, Per E M

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Harnessing Noninnocent Porphyrin Ligand to Circumvent Fe-Hydride Formation in the Selective Fe-Catalyzed CO2 Reduction in Aqueous Solution von Zhang, Ya-Qiong, Chen, Jia-Yi, Siegbahn, Per E. M, Liao, Rong-Zhen

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