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- W2007376047 abstract "Ab initio molecular orbital theory has been used to examine the kinetics and mechanism for the reaction of chlorine atoms with methyl formate. From the ab initio parameters, the room-temperature rate constant is calculated and found to be in reasonable agreement with the experimental determination. It is found that 90% of the reaction proceeds via abstraction of the carbonyl hydrogen from methyl formate by chlorine atoms, resulting in the formation of CH3OCO radical." @default.
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- W2007376047 date "2000-02-01" @default.
- W2007376047 modified "2023-09-23" @default.
- W2007376047 title "An Experimental and Computational Study of the Kinetics and Mechanism of the Reaction of Methyl Formate with Cl Atoms" @default.
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- W2007376047 doi "https://doi.org/10.1021/jp992478z" @default.
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