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Levoglucosan is a typical molecular tracer of biomass-burning aerosols in the atmosphere. The mechanism for OH-initiated reaction with levoglucosan is studied at the level of MPWB1K/6-311+G(3df,2p)//MPWB1K/6-31+G(d,p). The possible subsequent reactions in the presence of O 2 , NO and H 2 O are also taken into consideration. The study shows that the H atom abstraction from the C ...
Dehydroabietic acid (DHAA) is the major marker compound emitted from the burning of conifer. In this paper, the atmospheric mechanism of DHAA initiated by OH radicals and O 3 was studied at the MPWB1K/6-31+G(d,p)//MPWB1K/6-311+G(3df,2p) level. For OH radicals, two types of reactions including OH addition and hydrogen abstraction were investigated. The cycloaddition reactions of O 3 ...
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