1.
J Chem Phys
; 129(15): 154703, 2008 Oct 21.
Artigo
em Inglês
| MEDLINE
| ID: mdl-19045214
RESUMO
In this work we have calculated the atomic spin densities and energy band gaps of three kinds of large carbon unlocalized high-spin aromatic systems, consisting of 1000 to 10,000 atoms. The selected systems, nanotubes, graphenes, and polyaryls, have obvious theoretical and technical interest. The results obtained for nanotubes and graphenes confirm and expand the ones published by other authors. The results for polyaryls are totally new.
2.
Heart
; 89(2): 138, 2003 Feb.
Artigo
em Inglês
| MEDLINE
| ID: mdl-12527660