Reaction mechanism, rate constants, and product yields for the oxidation of embedded five-member ring radicals with atomic oxygen [electronic resource]

Oxidation mechanism of an embedded five-member ring on a surface of a carbonaceous particle with atomic oxygen has been studied employing G3(MP2,CC)//B3LYP/6-311G* potential energy surface calculations for C<sub>15</sub>H<sub>9</sub> + O reactions. Temperature- and pressure-d...

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Format: Electronic eBook
Language:English
Published: Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, 2018.
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