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Investigation on formation mechanisms of PBDD/Fs from 2,6-dibromophenol pyrolysis using density functional theory (DFT) method

Jinbao Huang, Lin Lan, Yao Wang, Sijia Li, Weifeng Xu, Li Jin, Weiwei Xu, Xinsheng Li, Xinsheng Li

2023Journal of the Energy Institute13 citationsDOI

Topics & Concepts

Density functional theoryRadicalDecompositionChemistryPyrolysisKinetic energyCoupling (piping)Computational chemistryPhotochemistryOrganic chemistryMaterials sciencePhysicsQuantum mechanicsMetallurgyToxic Organic Pollutants ImpactAtmospheric chemistry and aerosolsAir Quality and Health Impacts
Investigation on formation mechanisms of PBDD/Fs from 2,6-dibromophenol pyrolysis using density functional theory (DFT) method | Litcius