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

Date

Authors

Degirmenci, Isa

Aviyente, Viktorya

van Speybroeck, Veronique

Waroquier, Michel

Publisher

American Chemical Society

Abstract

The 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

Keywords

Keywords: 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

URI

http://hdl.handle.net/1885/62145

Collections

ANU Research Publications

Source

Macromolecules

Type

Journal article

DOI

10.1021/ma802875z

Restricted until

2037-12-31

Downloads

File

Description

01_Degirmenci_DFT_Study_on_the_Propagation_2009.pdf (1.46 MB)

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