Which oxidation state is preferable at S 0 state in oxygen-evolving complex, Mn 4(II, III, IV, IV) or Mn 4(III, III, III, IV)? A B3LYP study

Chemical Physics Letters

Volumn 545, Issue , 2012, Pages 107-111

  Ichino, Tomoya ^a   Yoshioka, Yasunori ^a  

^a MIE UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP STUDY; DOUBLET STATE; ENERGY DIFFERENCES; OXIDATION STATE; OXYGEN-EVOLVING COMPLEXES; WATER MOLECULE;

ELECTRONIC STRUCTURE; OXIDATION;

MANGANESE;

EID: 84865567639     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.07.029     Document Type: Article

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