Effect of the penultimate unit on radical stability and reactivity in free-radical polymerization

dc.contributor.authorCoote, Michelle
dc.contributor.authorDavis, Thomas P
dc.contributor.authorRadom, Leo
dc.date.accessioned2015-12-13T23:35:08Z
dc.date.issued1999
dc.date.updated2015-12-12T09:38:47Z
dc.description.abstractAb initio molecular orbital calculations have been used to study the effect of γ substituents (X = H, F, or CN) on the addition of 1-Y,3-X-disubstituted propyl radicals (Y = F or CN) to ethylene. It is found that, although the γ substituent (i.e. penult
dc.identifier.issn0024-9297
dc.identifier.urihttp://hdl.handle.net/1885/93770
dc.publisherAmerican Chemical Society
dc.sourceMacromolecules
dc.subjectKeywords: Addition reactions; Composition effects; Computational methods; Copolymerization; Free radical polymerization; Molecular structure; Molecular orbitals; Polyethylenes
dc.titleEffect of the penultimate unit on radical stability and reactivity in free-radical polymerization
dc.typeJournal article
local.bibliographicCitation.startpage2935?2940
local.contributor.affiliationCoote, Michelle, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationDavis, Thomas P, University of New South Wales
local.contributor.affiliationRadom, Leo, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidCoote, Michelle, u4031074
local.contributor.authoruidRadom, Leo, u7401603
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030601 - Catalysis and Mechanisms of Reactions
local.identifier.ariespublicationMigratedxPub25176
local.identifier.citationvolume32
local.identifier.doi10.1021/ma9818073
local.identifier.scopusID2-s2.0-0032625783
local.type.statusPublished Version

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