A reinvestigation of the deceptively simple reaction of toluene with OH, and the fate of the benzyl radical: a combined thermodynamic and kinetic study on the competition between OH-addition and H-abstraction reactions
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DOI: 10.1007/s00214-020-02626-8
Abstract: This work reports density functional and composite model chemistry calculations performed on the reactions of toluene with the hydroxyl radical. Both the experimentally observed H-abstraction from the methyl group and possible OH-additions to the phenyl… read more here.
Keywords: addition; chemistry; study; abstraction ... See more keywords