A novel computational approach for development of highly selective fenitrothion imprinted polymer: theoretical predictions and experimental validations

Journal of the Brazilian Chemical Society

Pereira, Leandro Alves¹  University of Campina, Campinas, Brazil¹  Custódio, Rogério¹  Rath, Susanne¹  Barros, Leonardo Augusto de¹  University of Campinas, Campinas, Brazil¹ 

关键词: molecularly imprinted polymer;    molecular modeling;    Gibbs free energy;    functional monomer;    solvent effect;   

DOI  :  10.5935/0103-5053.20140009

学科分类：化学（综合）

来源: SciELO

【 摘 要 】

The quality of molecularly imprinted recognition sites depend on the mechanisms and the extent of the functional monomer-template interactions present in the prepolymerization mixture. Thus, an understanding of the physical parameters governing these interactions is

【 授权许可】

Unknown