• Title of article

    A concealed property of total π-electron energy

  • Author/Authors

    Gutman، نويسنده , , Ivan and Nikoli?، نويسنده , , Ana and Tomovi?، نويسنده , , ?eljko، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2001
  • Pages
    4
  • From page
    95
  • To page
    98
  • Abstract
    In the theory of total π-electron energy (E) an auxiliary quantity is defined via γ∗=[n(2mn−E2)]/[2m(2m+n−2E)], where n and m denote the number of vertices and edges of the molecular graph. Within classes of structurally similar conjugated systems a very good linear correlation between γ∗ and n is observed, apparently contradicting to the way in which γ∗ (by definition) depends on n,m,E. We now establish the condition which E must satisfy, in order that γ∗ be a linear function of n: the condition for an exact linear relation between γ∗ and n is E=m.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2001
  • Journal title
    Chemical Physics Letters
  • Record number

    1778510