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

Volumn 52, Issue 45, 2013, Pages 11744-11749

  Bovi, Daniele ^a   Narzi, Daniele ^a   Guidoni, Leonardo ^a,b  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

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

Indexed keywords

AB INITIO CALCULATIONS; KOK CYCLE; META-STABLE STATE; OXYGEN-EVOLVING COMPLEXES; PHOTOSYSTEM-II; QUANTUM MECHANICS/MOLECULAR MECHANICS; STRUCTURAL MODELS; WATER SPLITTING;

DENSITY FUNCTIONAL THEORY; MANGANESE REMOVAL (WATER TREATMENT); MOLECULAR MODELING; THERMODYNAMICS;

MANGANESE COMPOUNDS;

OXYGEN;

AB INITIO CALCULATIONS; ARTICLE; CHEMISTRY; DENSITY FUNCTIONAL CALCULATIONS; KOK CYCLE; PHOTOSYNTHESIS; PHOTOSYSTEM II; WATER SPLITTING;

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL CALCULATIONS; KOK CYCLE; PHOTOSYSTEM II; WATER SPLITTING;

OXYGEN; PHOTOSYNTHETIC REACTION CENTER COMPLEX PROTEINS; PHOTOSYSTEM II PROTEIN COMPLEX;

EID: 84886801331     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201306667     Document Type: Article

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