Theoretical Researches on the Self-assembly System of Molecularly Imprinted Polymers Formed via Phen

• 作 者: 王光宇 刘俊渤 唐珊珊 常海波 靳瑞发
• 机 构: CollegeofFoodScienceandEngineering,CollegeofResourcesandEnvironment,CollegeofLifeScience,CollegeofCh
• 出 处: 结构化学
• 发表日期: 2019年7期
• 关键词: PHN AM molecularly imprinted POLYMERS COMPUTATIONAL simulation
• 基金项目: the Science and Technology Research Project for Education Department of Jilin Province (No. JJKH20170299KJ),the Science and Technology Development Project of Jilin Province (No. 20170520145JH).

For preparing the phenobarbital(PHN) molecularly imprinted polymers(MIPs) with higher adsorption and selectivity properties, we used the M062 X/6-31 g(d,p) method of density functional theory to predict the various properties of PHN-MIPs. Here PHN is as t