Dimanganese catalase - Spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state

Journal of Biological Inorganic Chemistry

Volumn 10, Issue 3, 2005, Pages 231-238

  Sinnecker, Sebastian ^a   Neese, Frank ^a   Lubitz, Wolfgang ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

Author keywords

Broken symmetry; Density functional theory; Magnetic hyperfine data; Manganese catalase

Indexed keywords

CATALASE; DIMANGANESE CATALASE; MANGANESE; MANGANESE 55; NITROGEN; NITROGEN 14; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL STRUCTURE; COMPARATIVE STUDY; DATA ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRONICS; EVALUATION; EXPERIMENT; GEOMETRY; MODEL; OXIDATION; PARAMETER; PRIORITY JOURNAL; PROTON TRANSPORT; SPECTROSCOPY; STRUCTURE ANALYSIS; THEORETICAL STUDY;

CATALASE; CRYSTALLOGRAPHY, X-RAY; LACTOBACILLUS PLANTARUM; MANGANESE; MODELS, MOLECULAR; NITROGEN; PROTEIN STRUCTURE, TERTIARY; SPECTRUM ANALYSIS; SUPEROXIDES;

EID: 20044366033     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00775-005-0633-9     Document Type: Article

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