The use of PLS algorithms and quantum chemical parameters derived from PM3 hamiltonian in QSPR studies on direct photolysis quantum yields of substituted aromatic halides.

@article{Chen2000TheUO,
  title={The use of PLS algorithms and quantum chemical parameters derived from PM3 hamiltonian in QSPR studies on direct photolysis quantum yields of substituted aromatic halides.},
  author={J. H. Chen and Willie J G M Peijnenburg and Xie Quan and Shihua Chen and Yi Zhi Zhao and Feili Lo Yang},
  journal={Chemosphere},
  year={2000},
  volume={40 12},
  pages={1319-26}
}
The Partial Least-Squares (PLS) method was used to further study Quantitative Structure-Property Relationship (QSPR) for photohydrolysis quantum yields of selected aromatic halides. The cluster of substituted bromobenzenes and iodobenzenes was further grouped into two clusters, substituted bromobenzenes and substituted iodobenzenes, for which QSPRs were obtained, respectively. The QSPRs obtained by PLS are more significant than those obtained in previous studies. The studies showed that only… CONTINUE READING