Is the ruthenium analogue of compound I of cytochrome P450 an efficient oxidant? A theoretical investigation of the methane hydroxylation reaction

Journal of the American Chemical Society

Volumn 125, Issue 8, 2003, Pages 2291-2300

  Sharma, Pankaz K ^a   De Visser, Sam P ^a   Ogliaro, François ^a   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; HYDROXYLATION; RUTHENIUM;

SINGLE-STATE REACTIVITY;

METHANE;

CYTOCHROME P450; RUTHENIUM;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL BOND; ENZYME ACTIVE SITE; HYDROXYLATION; MATHEMATICAL ANALYSIS; OXIDATION; REACTION ANALYSIS; STEREOCHEMISTRY; SURFACE PROPERTY; THEORY;

EID: 0037467076     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0282487     Document Type: Article

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