title: Finite-length models of carbon nanotubes based on Clar sextet theory.
abstract: Finite-length models of metallic and semiconducting carbon nanotubes (CNTs) based on Clar sextet theory of aromatic systems are proposed. For metallic CNTs, the electronic properties of finite-length models converge monotonically to the values expected for quasi-monodimensional metallic systems. For semiconducting CNTs, the use of finite-length models as proposed in this work leads to a fast convergence of the electronic properties to the values expected for the corresponding infinite-length nanotube.
authors.affiliation: Department of Chemistry, ISTM-CNR and UdR INSTM, University of Perugia, 06123 Perugia, Italy.
authors.forename: M
authors.initials: M
authors.lastname: Baldoni
authors.forename: A
authors.initials: A
authors.lastname: Sgamellotti
authors.forename: F
authors.initials: F
authors.lastname: Mercuri