Computational study of the oxygen initiated decomposition of 2-oxepinoxy radical: A key intermediate in the oxidation of benzene

Journal of Physical Chemistry A

Volumn 108, Issue 40, 2004, Pages 8419-8433

  Merle, John K ^a   Hadad, Christopher M ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY PROFILES; HIGH-PRESSURE LIMITS; KINETIC BARRIERS; MOIETIES;

COMPUTATIONAL METHODS; DECOMPOSITION; FREE ENERGY; FREE RADICALS; OXIDATION; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

AROMATIC COMPOUNDS;

EID: 6044230794     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047317w     Document Type: Article

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