Electron-induced reductive debromination of 2,3,4-tribromodiphenyl ether: A computational study

Journal of Molecular Modeling

Volumn 19, Issue 8, 2013, Pages 3333-3338

  Luo, Jin ^a   Hu, Jiwei ^a   Zhuang, Yuan ^b   Wei, Xionghui ^c   Huang, Xianfei ^a  

^a GUIZHOU NORMAL UNIVERSITY   (China)

^b Stanford University   (United States)

^c PEKING UNIVERSITY   (China)

Author keywords

2,3,4 Tribromodiphenyl Ether; Anions; Debromination; DFT

Indexed keywords

2,3,4 TRIBROMODIPHENYL ETHER; ETHER DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CONFORMATIONAL TRANSITION; DEBROMINATION; DIELECTRIC CONSTANT; DISSOCIATION; ELECTRON; ELECTRON TRANSPORT; ENERGY; GEOMETRY; ISOMERIZATION; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL; THERMODYNAMICS;

BROMINE; ELECTRONS; ENVIRONMENTAL POLLUTANTS; FREE RADICALS; GASES; PHENYL ETHERS; POLYBROMINATED BIPHENYLS; QUANTUM THEORY; SOLUTIONS; SOLVENTS; THERMODYNAMICS;

EID: 84880784494     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1868-y     Document Type: Article

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