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The kinetics of addition and fragmentation in reversible addition fragmentation chain transfer polymerization: an ab initio study

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dc.contributor.authorCoote, Michelle
dc.date.accessioned2015-12-13T22:34:26Z
dc.date.issued2005
dc.date.updated2015-12-11T09:21:06Z
dc.description.abstractHigh-level ab initio calculations of the forward and reverse rate coefficients have been performed for a series of prototypical reversible addition fragmentation chain transfer (RAFT) reactions: R· + S=C(Z)SCH3 → R-SC·(Z)SCH3, for R = CH 3, with Z = C
dc.identifier.issn1089-5639
dc.identifier.urihttp://hdl.handle.net/1885/76114
dc.publisherAmerican Chemical Society
dc.sourceJournal of Physical Chemistry A
dc.subjectKeywords: Addition reactions; Complexation; Molecular dynamics; Monomers; Nanostructured materials; Optimization; Polymerization; Polymers; Porous materials; Styrene; Substitution reactions; Thermodynamics; ab initio calculations; Chain transfer polymerization; Rat
dc.titleThe kinetics of addition and fragmentation in reversible addition fragmentation chain transfer polymerization: an ab initio study
dc.typeJournal article
local.bibliographicCitation.issue6
local.bibliographicCitation.lastpage1239
local.bibliographicCitation.startpage1230
local.contributor.affiliationCoote, Michelle, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidCoote, Michelle, u4031074
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030305 - Polymerisation Mechanisms
local.identifier.absfor030799 - Theoretical and Computational Chemistry not elsewhere classified
local.identifier.ariespublicationMigratedxPub5006
local.identifier.citationvolume109
local.identifier.doi10.1021/jp046131u
local.identifier.scopusID2-s2.0-14544273163
local.type.statusPublished Version

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