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Reference type: Book Chapter
Authors: Nicholls IA, Olsson GD, Karlsson BCG, Suriyanarayanan S, Wiklander JG
Publication date: 2018
Chapter title: Theoretical and Computational Strategies in Molecularly Imprinted Polymer Development.
Chapter number: 7
Page numbers: 197-226.
DOI: 10.1039/9781788010474-00197

Book title: Molecularly Imprinted Polymers for Analytical Chemistry Applications
Editors: Kutner W, Sharma PS
Publisher: Royal Society of Chemistry
ISBN: 978-1-78262-647-3

Abstract: Theoretical and computational studies of molecular imprinting have helped provide valuable insights concerning the nature of the molecular-level events underlying the recognition characteristics of molecularly imprinted materials. Here, we first present an overview of a thermodynamic treatment of factors governing the behaviour of these functional materials, and then a summary of the development and current status of the use of computational strategies for studying aspects of molecular imprinting and the resulting material properties.
Template and target information: Review - MIPs theoretical and computational design

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