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First principles modelling of free-radical polymerisation kinetics

Noble, Ben; Coote, Michelle


Computational quantum chemistry can make valuable contributions to modelling and improving free radical polymerisation. At a microscopic level, it can assist in establishing reaction mechanisms and structure-reactivity trends; at a macroscopic level it ca

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
Source: International Reviews in Physical Chemistry
DOI: 10.1080/0144235X.2013.797277


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