Molecular orbital studies on brominated diphenyl ethers. Part II-reactivity and quantitative structure-activity (property) relationships

Chemosphere

Volumn 59, Issue 7, 2005, Pages 1043-1057

  Hu, Jiwei ^a   Eriksson, Lars ^b   Bergman, Åke ^c   Jakobsson, Eva ^c   Kolehmainen, Erkki ^d   Knuutinen, Juha ^d   Suontamo, Reijo ^d   Wei, Xionghui ^a  

^a PEKING UNIVERSITY   (China)

^b STOCKHOLM UNIVERSITY   (Sweden)

^c STOCKHOLM UNIVERSITY   (Sweden)

^d UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

Brominated diphenyl ethers; Molecular orbital studies; QSARs; QSPRs; Reactivity

Indexed keywords

CARRIER CONCENTRATION; FLAME RETARDANTS; GAS CHROMATOGRAPHY; HORMONES; POLYCHLORINATED BIPHENYLS;

FRONTIER ELECTRON DENSITIES; PHOTOLYTIC REACTIONS; POLYBROMINATED DIPHENYL ETHERS (PBDE); THYROID HORMONES;

ETHERS;

DIPHENYL ETHER DERIVATIVE; LUCIFERASE; POLYBROMINATED BIPHENYL;

HEALTH RISK; PBDE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ENZYME ACTIVITY; GAS CHROMATOGRAPHY; MATHEMATICAL MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 16844370670     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2004.11.029     Document Type: Article

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