☆ 4.8 Article

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

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

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Journal

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 52, Issue 45, Pages 11744-11749

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201306667

Keywords

abinitio calculations; density functional calculations; Kok cycle; photosystemII; water splitting

Categories

Chemistry, Multidisciplinary

Funding

  1. ERC [240624]
  2. European Research Council (ERC) [240624] Funding Source: European Research Council (ERC)

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