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First principles modelling of free-radical polymerisation kinetics

Noble, Ben; Coote, Michelle

Description

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
URI: http://hdl.handle.net/1885/62234
Source: International Reviews in Physical Chemistry
DOI: 10.1080/0144235X.2013.797277

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