https://www.selleckchem.com/pr....oducts/jak-inhibitor
The hydrogen atom abstraction by the methyl peroxy radical (CH3O2) is an important reaction class in detailed chemical kinetic modeling of the autoignition properties of hydrocarbon fuels. Systematic theoretical studies are performed on this reaction class for H2/C1-C4 fuels, which is critical in the development of a base model for large fuels. The molecules include hydrogen, alkanes, alkenes, and alkynes with a carbon number from 1 to 4. The B2PLYP-D3/cc-pVTZ level of theory is employed to optimize the geometries of all of the
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