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Gas-phase reaction mechanisms of ozone with cis/trans-3-hexenyl acetate and cis/trans-2-hexenyl acetate are performed using density functional theory. The reactions are initiated by the formation of the primary ozonides which are followed by the reactions of biradicals with H2O or NO. The formation of the secondary ozonide (SOZ) is also studied. On the basis of the above DFT calculations, the modified...
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