The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state

Angew Chem Int Ed Engl. 2013 Nov 4;52(45):11744-11749. doi: 10.1002/anie.201306667. Epub 2013 Sep 25.
No abstract available

Keywords: Kok cycle; ab initio calculations; density functional calculations; photosystem II; water splitting.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Oxygen / chemistry*
  • Photosynthetic Reaction Center Complex Proteins*
  • Photosystem II Protein Complex / chemistry*

Substances

  • Photosynthetic Reaction Center Complex Proteins
  • Photosystem II Protein Complex
  • Oxygen