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Ab Initio Kinetics Studies of Hydrogen Atom Abstraction from Methyl Propanoate

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Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C5CP07282D, Paper
Ting Tan, Xueliang Yang, Yiguang Ju, Emily Carter
The kinetics of hydrogen abstraction by five radicals (H, CH3, O(3P), OH, and HO2) from a biodiesel surrogate, methyl propanoate (MP), is theoretically investigated. We employ high-level ab initio quantum...
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