• Title of article

    Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures

  • Author/Authors

    Morikawa، نويسنده , , Tetsuo and Narita، نويسنده , , Susumu and Klein، نويسنده , , Douglas J.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2005
  • Pages
    5
  • From page
    554
  • To page
    558
  • Abstract
    A graph theoretical index, here called a long-bond index (or a generalized Pauling bond order), predicts well the degree of electric conductance for (carbon sheet and carbon cylinder-shaped) molecular nano-structures. Some results are compared with those by means of molecular-orbital-theoretic Green’s function methods. The present alternative method is based on long-bond (or excited) structure counting as suggested from valence bond resonance theoretic ideas.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2005
  • Journal title
    Chemical Physics Letters
  • Record number

    1914300