Equilibrium configurations, total energy, heat of formation, energies of HOMO and LUMO orbitals, density of one-electron states (DOS) of open and semi open carbon nanotubes of variable diameter such types as (6,6)+(6,0), (5,5)+(5,0) and (6,0)+(5,0) are determined in frames of semi-empirical quantum chemistry PM3-method. © 2007 Springer.
CITATION STYLE
Popov, A. P., & Bazhin, I. V. (2007). Electronic structure of carbon nanotubes of variable diameter. In NATO Security through Science Series A: Chemistry and Biology (pp. 707–712). https://doi.org/10.1007/978-1-4020-5514-0_88
Mendeley helps you to discover research relevant for your work.