Quantitative structure-property relationship studies for direct photolysis rate constants and quantum yields of polybrominated diphenyl ethers in hexane and methanol.

@article{Fang2009QuantitativeSR,
  title={Quantitative structure-property relationship studies for direct photolysis rate constants and quantum yields of polybrominated diphenyl ethers in hexane and methanol.},
  author={Lei Fang and Jun Huang and Gang Yu and Xue Li},
  journal={Ecotoxicology and environmental safety},
  year={2009},
  volume={72 5},
  pages={1587-93}
}
The direct photolysis of 18 individual polybrominated diphenyl ethers (PBDEs) substituted with 1-7 bromine atoms was investigated in hexane and methanol under UV irradiation. Based on the determined photolysis rate constants (k(p)) and calculated quantum yields (Phi), four quantitative structure-property relationship (QSPR) models were developed by partial least squares (PLS) method and 20 fundamental molecular structural descriptors. The fitting results showed that all of four QSPR models had… CONTINUE READING
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Molecular Descriptors in QSAR/QSPR

  • M. Karelson
  • 2000
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