Catalytic activity tuning of a biomimetic HO-FeV=O oxidant for methane hydroxylation by substituents on aromatic rings: Theoretical study

Journal of Physical Chemistry B

Volumn 111, Issue 10, 2007, Pages 2711-2718

  Yuguang, Ma ^a   Balbuena, Perla B ^a  

^a Texas AandM University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMIMETICS; CATALYST ACTIVITY; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY BARRIERS; HYDROXYLATION; LIGANDS; POTENTIAL ENERGY;

AROMATIC RINGS; ELECTRON-DONATING GROUPS; ELECTRON-WITHDRAWING GROUPS; REACTION ENERGIES;

METHANE;

EID: 34047263753     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp067429i     Document Type: Article

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