Communication: Thermal unimolecular decomposition of syn-CH3CHOO: A kinetic study
نویسندگان
چکیده
منابع مشابه
Unimolecular decomposition of 2,5-dimethylfuran: a theoretical chemical kinetic study.
The unimolecular decomposition of 2,5-dimethylfuran (DMF), a promising next-generation biofuel, was studied at the CBS-QB3 level of theory. As most of its decomposition routes remain unknown, a large number of pathways were explored: initial C-H bond fission, biradical ring opening, H-atom and CH(3)-group transfers involving carbene intermediates. Based on the computed potential energy surfaces...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2016
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4964393