| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6310686 | Chemosphere | 2013 | 6 Pages |
Abstract
⺠Neutrals and anions of nine selected PCDD congeners were investigated at DFT level. ⺠The PCDDs dechlorination pathway can be predicted based on their anionic states. ⺠EAAda of the PCDDs are significantly correlated with the dechlorination kinetics. ⺠The dechlorination of PCDDs is kinetically dominated by electron transfer step. ⺠An exponential correlation was found between PCDD residues and reaction time.
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Authors
Jin Luo, Jiwei Hu, Yuan Zhuang, Xionghui Wei, Xianfei Huang,