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Computational Studies of RAFT Polymerization - Mechanistic Insights and Practical Applications

Coote, Michelle; Krenske, Elizabeth; Izgorodina, Ekaterina

Description

Computational chemistry is a valuable complement to experiments in the study of polymerization processes. This article reviews the contribution of computational chemistry to understanding the kinetics and mechanism of reversible addition fragmentation chain transfer (RAFT) polymerization. Current computational techniques are appraised, showing that barriers and em:halpies can now be calculated with kcal accuracy. The utility of computational data is then demonstrated by showing how the...[Show more]

CollectionsANU Research Publications
Date published: 2006
Type: Journal article
URI: http://hdl.handle.net/1885/84513
Source: Macromolecular Rapid Communications
DOI: 10.1002/marc.200500832

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