Geometric, electronic and spin structures of the CaMn4O5 catalyst for water oxidation in oxygen-evolving photosystem II. Interplay between experiments and theoretical computations
Kizashi Yamaguchi, Mitsuo Shoji, Hiroshi Isobe, Takashi Kawakami, Koichi Miyagawa, Michihiro Suga, Fusamichi Akita, Jian‐Ren Shen
Topics & Concepts
ChemistryPhotosystem IIElectron paramagnetic resonanceOxygen-evolving complexCrystallographyCluster (spacecraft)Hydrogen bondElectronic structureUnpaired electronProtonMoleculeChemical physicsComputational chemistryNuclear magnetic resonanceOrganic chemistryProgramming languagePhysicsQuantum mechanicsPhotosynthesisBiochemistryComputer sciencePhotosynthetic Processes and MechanismsSpectroscopy and Quantum Chemical StudiesElectrocatalysts for Energy Conversion