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Chui-Peng Kong, Zeng-Xia Zhao and Hong-Xing Zhang Theoretical study of gas phase reactions of important SOA intermediates: (cis- and trans-) BEPOX and β-IEPOX with OH radical International Journal of Quantum Chemistry 113

Version of Record online: 18 JUN 2012 | DOI: 10.1002/qua.24226

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β-IEPOX has been suggested as an important intermediate in the reaction of secondary organic aerosol formation from isoprene. Theoretical calculations provide insight into the reaction mechanism. In gas phase reaction, β-IEPOX is decomposed and the secondary organic aerosol is expected to form in aqueous phase. The structure and reactivity of another 2,3-epoxy-1,4-butanediol, BEPOX, is also reported here.

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