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- W4206006324 abstract "in modeling the autoignition of THF. We interpret our data with the aid of quantum chemical calculations of the THF-yl + O2 and QOOH + O2 potential energy surfaces. On the basis of our results, we propose a simplified THF oxidation mechanism below 700 K, which involves the competition among unimolecular decomposition and oxidation pathways of QOOH." @default.
- W4206006324 created "2022-01-26" @default.
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- W4206006324 date "2020-12-01" @default.
- W4206006324 modified "2023-09-27" @default.
- W4206006324 title "First and second O2 addition in low-temperature cyclopentane oxidation." @default.
- W4206006324 doi "https://doi.org/10.2172/1837617" @default.
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