Tamilmani, Venkatachalam Daul, Claude Jenny, Titus A. 2006 Energetics and the electronic structure of various types of single-walled carbon nanotubes have been investigated by using Density Functional Theory. Armchair [n,n], zigzag [n,0] and chiral [n,m] C₄₀H₂₀ nanotubes have been considered. Calculations show that the armchair isomer is the most stable among the three types and they further reveal the factors that stabilize this isomer. Nucleus-independent chemical shift calculations indicate the aromaticity of the individual hexagonal rings in the carbon nanotubes and explain the extent of electron delocalization in them. application/pdf https://folia.unifr.ch/global/documents/300206 https://folia.unifr.ch/documents/300206/files/daul_prs.pdf eng info:eu-repo/semantics/altIdentifier/doi/10.2533/000942906777674813 info:eu-repo/semantics/openAccess License undefined Chimia. - 2006, vol. 60, no. 4, p. 228-230 aromaticity DFT nanotube NBO NICS info:eu-repo/classification/udc/54 Possible ring structures of armchair single-walled carbon nanotubes http://purl.org/coar/resource_type/c_6501