Theoretical rate coefficients for the reaction of methyl radical with hydroperoxyl radical and for methylhydroperoxide decomposition

Proceedings of the Combustion Institute

Volumn 32 I, Issue 1, 2009, Pages 279-286

  Jasper, Ahren W ^a   Klippenstein, Stephen J ^b   Harding, Lawrence B ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Ab initio; Barrierless kinetics; Hydroperoxyl radical; Methyl radical; Methylhydroperoxide

Indexed keywords

CALCULATIONS; COMBUSTION; DECOMPOSITION; ELECTRONIC STATES; ELECTRONIC STRUCTURE; FLOW MEASUREMENT; REACTION RATES; RIGID ROTORS;

AB INITIO; DECOMPOSITION REACTION; ELECTRONIC STRUCTURE CALCULATIONS; HYDROPEROXYL RADICAL; METHYL RADICAL; METHYLHYDROPEROXIDE; TRANSITION STATE THEORIES; VARIATIONAL TRANSITION STATE THEORY;

ASSOCIATION REACTIONS;

EID: 61849163242     PISSN: 15407489     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.proci.2008.05.036     Document Type: Article

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