@article{
 title = {Relatively Selective Production of the Simplest Criegee Intermediate in a CH4/O2 Electric Discharge: Kinetic Analysis of a Plausible Mechanism.},
 type = {article},
 year = {2014},
 identifiers = {[object Object]},
 websites = {http://www.ncbi.nlm.nih.gov/pubmed/25405528},
 month = {11},
 day = {25},
 id = {43e20b97-a34c-3973-b67b-1522d00a6cbf},
 created = {2015-01-17T06:16:27.000Z},
 accessed = {2015-01-17},
 file_attached = {true},
 profile_id = {20dfd46a-aca3-3bc6-a8b4-f2c5cd8fb12d},
 group_id = {63e349d6-2c70-3938-9e67-2f6483f6cbab},
 last_modified = {2015-01-30T05:02:46.000Z},
 read = {false},
 starred = {false},
 authored = {false},
 confirmed = {false},
 hidden = {false},
 abstract = {High -accuracy coupled cluster methods in combination with microcanonical semiclassical transition state theory are used to investigate a plausible formation mechanism of the simplest Criegee intermediate in a CH4/O2 discharge experiment. Our results suggest that the Criegee intermediate is produced in a three-step process: (i) production of methyl radical by cleavage of a C-H bond of CH4; (ii) association of methyl radical with molecular oxygen to form a vibrationally excited methyl peroxy, which is in a rapid microequilibrium with the reactants; and finally, (iii) H-abstraction of CH3OO by O2, which results in the formation of cool CH2OO, which has insufficient internal energy to rearrange to dioxirane.},
 bibtype = {article},
 author = {Nguyen, Thanh Lam and McCarthy, Michael C and Stanton, John F},
 journal = {The journal of physical chemistry. A}
}

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