Quantitative structure-property relationships on photodegradation of polybrominated diphenyl ethers.

@article{Niu2006QuantitativeSR,
  title={Quantitative structure-property relationships on photodegradation of polybrominated diphenyl ethers.},
  author={Junfeng Niu and Zhenyao Shen and Zhifeng Yang and Xingxing Long and Gang Yu},
  journal={Chemosphere},
  year={2006},
  volume={64 4},
  pages={
          658-65
        }
}
By partial least squares (PLS) regression, quantitative structure-property relationship (QSPR) models were developed for photodegradation rates (k(p)) and quantum yields (Phi) of polybrominated diphenyl ethers (PBDEs) in methanol/water (8:2), and photodegradation rates in pure methanol by UV light in the sunlight region, respectively. Quantum chemical descriptors computed by PM3 Hamiltonian were used as predictor variables. The cross-validated Q(cum)(2) values for three optimal QSPR models of… CONTINUE READING

Topics from this paper.

Citations

Publications citing this paper.
SHOWING 1-10 OF 16 CITATIONS