ELECTRONIC STRUCTURE OF Y-JUNCTIONS OF CARBON NANOTUBES

  • A.P. POPOV
  • I.V. BAZHIN
  • E.S. BOGOSLAVSKAYA
Conference paper
Part of the NATO Security through Science Series A: Chemistry and Biology book series

Abstract

Equilibrium geometry parameters, total energies, heats of formation, energies of HOMO and LUMO orbitals, and density of one-electron states for some nanotubes Y-junctions of twig types are computed in the frames of semi-empirical quantum chemistry PM3-method.

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Copyright information

© Springer 2007

Authors and Affiliations

  • A.P. POPOV
    • 1
  • I.V. BAZHIN
    • 1
  • E.S. BOGOSLAVSKAYA
    • 1
  1. 1.Department of education quality controlRostov State Pedagogical UniversityRostov-on-DonRussia

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