Theoretical and experimental research on the self-assembled system of molecularly imprinted polymers formed by salbutamol and methacrylic acid.

@article{JunBo2015TheoreticalAE,
  title={Theoretical and experimental research on the self-assembled system of molecularly imprinted polymers formed by salbutamol and methacrylic acid.},
  author={Liu Jun-Bo and Shi Yang and Tang Shan-Shan and Jin Rui-Fa},
  journal={Journal of separation science},
  year={2015},
  volume={38 6},
  pages={1065-71}
}
The quantum chemical method was applied for screening functional monomers in the rational design of salbutamol-imprinted polymers. Salbutamol was the template molecule, and methacrylic acid was the single functional monomer. The LC-WPBE/6-31G(d,p) method was used to investigate the geometry optimization, active sites, natural bond orbital charges, binding… CONTINUE READING