To access the full text documents, please follow this link: http://hdl.handle.net/2445/9845

Valence-bond treatment of distortions in polyacene polymers
García Bach, Ma. de los Ángeles; Peñaranda Ayllon, Angelina; Klein, D. J.
Universitat de Barcelona
Distortions of polyacene polymers are studied within a many-body valence-bond framework using a powerful transfer-matrix technique for the valence-bond (or Heisenberg) model of the system. The computations suggest that the ground-state geometry is either totally symmetric or possibly exhibits a slight (A2 or B2 symmetry) bond-alternation distortion. The lowest-energy (nonsymmetric, in-plane) distortions are the A2 and B2 modes, which, within our approximations, are degenerate.
2010-05-04
Química física
Polímers
Elastòmers
Physical chemistry
Polymers
Elastomers
(c) The American Physical Society, 1992
Article
The American Physical Society
         

Show full item record

Related documents

Other documents of the same author

García Bach, Ma. de los Ángeles; Valentí i Vall, M. Roser; Klein, D. J.
Klein, D. J.; Schmalz, T. G.; García Bach, Ma. de los Ángeles; Valentí i Vall, M. Roser; Živkovic, T. P.
Illas i Riera, Francesc; Casanovas Salas, Jordi; García Bach, Ma. de los Ángeles; Caballol Lorenzo, Rosa; Castell, O.
 

Coordination

 

Supporters