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
Topics & Concepts
Density functional theoryRadicalDecompositionChemistryPyrolysisKinetic energyCoupling (piping)Computational chemistryPhotochemistryOrganic chemistryMaterials sciencePhysicsQuantum mechanicsMetallurgyToxic Organic Pollutants ImpactAtmospheric chemistry and aerosolsAir Quality and Health Impacts