Abstract
Water divining: DFT calculations are applied to a set of Mn4Ca cluster models of the water oxidizing complex (WOC) in photosystem II (see picture; O red, H white, Ca light gray, Mn dark gray, C black). The calculations uncover a model of the active site which rationalizes recent experimental data probing substrate interaction with the WOC and identifies the most likely substrate water binding sites. [Figure Presented]
Original language | English |
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Pages (from-to) | 4233-4236 |
Number of pages | 4 |
Journal | Angewandte Chemie - International Edition |
Volume | 49 |
Issue number | 25 |
DOIs | |
Publication status | Published - 7 Jun 2010 |