Characterization of synthetic oxomanganese complexes and the inorganic core of the O2-evolving complex in photosystem II: Evaluation of the DFT/B3LYP level of theory

Journal of Inorganic Biochemistry

Volumn 100, Issue 4, 2006, Pages 786-800

  Sproviero, Eduardo M ^a   Gascon, Jose A ^a   McEvoy, James P ^a   Brudvig, Gary W ^a   Batista, Victor S ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

DFT B3LYP; Exchange coupling; O2 evolving complex; Oxomanganese complex; Photosystem II

Indexed keywords

CARBOXYLIC ACID; CHLORINE; IMIDAZOLE; INORGANIC COMPOUND; MANGANESE DERIVATIVE; OXYGEN; PHENANTHROLINE DERIVATIVE; PYRIDINE DERIVATIVE;

ARTICLE; CALCULATION; CLUSTER ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRONICS; ENERGY TRANSFER; HYDRATION; MAGNETISM; PERFORMANCE; PHOTOSYNTHESIS; QUALITY CONTROL; SPECTROSCOPY; STRUCTURE ANALYSIS; X RAY ANALYSIS;

BIOMIMETICS; ELECTRON SPIN RESONANCE SPECTROSCOPY; EVALUATION STUDIES; HYDROXIDES; LIGANDS; MANGANESE; MODELS, MOLECULAR; ORGANOMETALLIC COMPOUNDS; OXYGEN; PHOTOSYSTEM II PROTEIN COMPLEX; WATER;

TETRA;

EID: 33645885634     PISSN: 01620134     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2006.01.017     Document Type: Article

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