Coote, MichelleDavis, Thomas PRadom, Leo2015-12-130024-9297http://hdl.handle.net/1885/93770Ab 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. penultKeywords: Addition reactions; Composition effects; Computational methods; Copolymerization; Free radical polymerization; Molecular structure; Molecular orbitals; Polyethylenes199910.1021/ma98180732015-12-12