Structural and electronic models of the water oxidizing complex in the S 0 state of photosystem II: a density functional study
Large size (228 atom, 229 atom for protonated form) molecular models of the oxygen evolving complex of photosystem II (OEC), with a complete set of ligating aminoacids, the redox-active tyrosine YZ, and proton/water transfer channels terminating at the water oxidizing Mn/Ca cluster, are constructed based on the highest available resolution X-ray diffraction structures of the protein and our previous density functional theory (DFT) studies of isolated metal cluster model structures. Geometries...[Show more]
|Collections||ANU Research Publications|
|Source:||Physical Review B: Condensed Matter and Materials|
|01_Jaszewski_Structural_and_electronic_2011.pdf||2.69 MB||Adobe PDF|
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