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

Date

Authors

Coote, Michelle

Publisher

American Chemical Society

Abstract

High-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

Keywords

Keywords: Addition reactions; Complexation; Molecular dynamics; Monomers; Nanostructured materials; Optimization; Polymerization; Polymers; Porous materials; Styrene; Substitution reactions; Thermodynamics; ab initio calculations; Chain transfer polymerization; Rat

URI

http://hdl.handle.net/1885/76114

Collections

ANU Research Publications

Source

Journal of Physical Chemistry A

Type

Journal article

DOI

10.1021/jp046131u

Restricted until

2037-12-31

Downloads

File

Description

01_Coote_The_kinetics_of_addition_and_2005.pdf (120.71 KB)