Conformational Effects on the Valence El
β
S. Delhalle; J. Delhalle; Ch. Demanet; J. M. Andre
π
Article
π
2010
π
Wiley (John Wiley & Sons)
β 372 KB
π 3 views
## Abstract Band structure for the T, TG, G and TGTG' conformations of polyethylene are computed in the framework of the extended HΓΌckel method. Significant changes of the Cο£ΏC bands are observed in the density of states and could in principle be detected by an XPS experiment.