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OH-initiated degradation of 2,2',4,4',5,6'-hexabrominated diphenyl ether (BDE-154) in the atmosphere and wastewater: Mechanisms, kinetics, and ecotoxicity

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In the present work, the reaction mechanism and kinetics of 2,2',4,4',5,6'-hexabrominated diphenyl ether (BDE-154) with OH were researched by employing density functional theory (DFT) and transition state theory (TST). The gas-phase and aqueous solution rea... ...