Computational Modeling and Theoretical Calculations on the Interactions between Spermidine and Functional Monomer (Methacrylic Acid) in a Molecularly Imprinted Polymer

This paper theoretically investigates interactions between a template and functional monomer required for synthesizing an efficient molecularly imprinted polymer (MIP). We employed density functional theory (DFT) to compute geometry, single-point energy, and binding energy (ΔE) of an MIP system, whe...

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Bibliographic Details
Main Authors: Yujie Huang, Qiujin Zhu
Format: Article
Language:English
Published: Wiley 2015-01-01
Series:Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2015/216983
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