A theoretical study on reductive debromination of polybrominated diphenyl ethers

International Journal of Molecular Sciences

Volumn 13, Issue 7, 2012, Pages 9332-9342

  Hu, Ji Wei ^a   Zhuang, Yuan ^b   Luo, Jin ^a   Wei, Xiong Hui ^c   Huang, Xian Fei ^a  

^a GUIZHOU NORMAL UNIVERSITY   (China)

^b Stanford University   (United States)

^c PEKING UNIVERSITY   (China)

Author keywords

Density functional theory; Electron transfer; Polybrominated diphenyl ethers; Radical anion; Reductive debromination

Indexed keywords

2 MONOBROMODIPHENYL ETHER; 2,3 DIBROMODIPHENYL ETHER; 2,3,4 TRIBROMODIPHENYL ETHER; 2,4 DIBROMODIPHENYL ETHER; 3 MONOBROMODIPHENYL ETHER; 3,4 DIBROMODIPHENYL ETHER; 4 MONOBROMODIPHENYL ETHER; IRON; NANOSCALE ZERO VALENT IRON; POLYBROMINATED DIPHENYL ETHER; UNCLASSIFIED DRUG; DIPHENYL ETHER DERIVATIVE;

ADIABATICITY; ARTICLE; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; DEBROMINATION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY; PREDICTION; THEORETICAL STUDY; CHEMICAL MODEL; CHEMISTRY;

HALOGENATED DIPHENYL ETHERS; MODELS, CHEMICAL;

EID: 84864352034     PISSN: 16616596     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms13079332     Document Type: Article

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