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DFT Study on the Propagation Kinetics of Free-Radical Polymerization of α-Substituted Acrylates

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dc.contributor.authorDegirmenci, Isa
dc.contributor.authorAviyente, Viktorya
dc.contributor.authorvan Speybroeck, Veronique
dc.contributor.authorWaroquier, Michel
dc.date.accessioned2015-12-10T23:03:23Z
dc.date.issued2009
dc.date.updated2016-02-24T10:44:41Z
dc.description.abstractThe kinetics of the free-radical propagation of methyl acrylate (MA), methyl methacrylate (MMA), ethyl a-fluoroacrylate (EFA), ethyl a-chloroacrylate (ECA), ethyl α-cyanoacrylate (ECNA), and methyl α- hydroxymethacrylate (MHMA) have been calculated usin
dc.identifier.issn0024-9297
dc.identifier.urihttp://hdl.handle.net/1885/62145
dc.publisherAmerican Chemical Society
dc.sourceMacromolecules
dc.subjectKeywords: 3-D space; Cyanoacrylate; DFT study; Functionals; Isotactic; Methyl acrylates; Methyl methacrylates; Propagation kinetics; Quantum chemical; Tacticity; Acrylic monomers; Addition reactions; Esters; Monomers; Three dimensional; Free radical polymerization
dc.titleDFT Study on the Propagation Kinetics of Free-Radical Polymerization of α-Substituted Acrylates
dc.typeJournal article
local.bibliographicCitation.issue8
local.bibliographicCitation.lastpage3041
local.bibliographicCitation.startpage3033
local.contributor.affiliationDegirmenci, Isa, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationAviyente, Viktorya, Bogazici University
local.contributor.affiliationvan Speybroeck, Veronique, Ghent University
local.contributor.affiliationWaroquier, Michel, Ghent University
local.contributor.authoruidDegirmenci, Isa, u4928863
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.ariespublicationU4217927xPUB672
local.identifier.citationvolume42
local.identifier.doi10.1021/ma802875z
local.identifier.scopusID2-s2.0-66549093241
local.type.statusPublished Version

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