Spin states in polynuclear clusters: The [Fe2O2] core of the methane monooxygenase active site

Journal of Computational Chemistry

Volumn 27, Issue 12, 2006, Pages 1223-1239

  Herrmann, Carmen ^a   Yu, Lian ^a   Reiher, Markus ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Methane monooxygenase; Polynuclear transition metal complexes; Spin states

Indexed keywords

ANTIFERROMAGNETISM; COMPLEXATION; GROUND STATE; HYDROXYLATION; METHANE; POLARIZATION; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

HYDROXYLASE COMPONENTS; METHANE MONOOXYGENASE; POLYNUCLEAR TRANSITION METAL COMPLEXES; SPIN STATES;

IRON COMPOUNDS;

FERRIC ION; FERRIC OXIDE; METHANE MONOOXYGENASE; OXYGENASE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; PROTEIN CONFORMATION;

BINDING SITES; FERRIC COMPOUNDS; MODELS, MOLECULAR; OXYGENASES; PROTEIN CONFORMATION;

EID: 33747157914     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20409     Document Type: Article

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