Density functional theory analysis of structure, energetics, and spectroscopy for the Mn-Fe active site of chlamydia trachomatis ribonucleotide reductase in four oxidation states

Inorganic Chemistry

Volumn 49, Issue 16, 2010, Pages 7266-7281

  Han, Wen Ge ^a   Giammona, Debra Ann ^b   Bashford, Donald ^b   Noodleman, Louis ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b ST JUDE CHILDREN S RESEARCH HOSPITAL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IRON; MANGANESE; RIBONUCLEOTIDE REDUCTASE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CHLAMYDIA TRACHOMATIS; ENZYME ACTIVE SITE; ENZYMOLOGY; METABOLISM; OXIDATION REDUCTION REACTION; QUANTUM THEORY; SPECTROSCOPY; THERMODYNAMICS;

CATALYTIC DOMAIN; CHLAMYDIA TRACHOMATIS; IRON; MANGANESE; MODELS, MOLECULAR; OXIDATION-REDUCTION; QUANTUM THEORY; RIBONUCLEOTIDE REDUCTASES; SPECTRUM ANALYSIS; THERMODYNAMICS;

EID: 77955504659     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic902051t     Document Type: Article

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