Kinetics and mechanisms of the first step of ozonolysis of trans-isoprene
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DOI: 10.1016/j.comptc.2020.112904
Abstract: Abstract We used the double-hybrid DFT functional B2PLYP and the MP2 approximation to determine the roles of the Criegee and DeMore mechanisms in the first step of the ozonolysis of trans-isoprene. We confirmed the predicted… read more here.
Keywords: ozonolysis; trans isoprene; step ozonolysis; mechanisms first ... See more keywords