• Title of article

    Treatments of non-nuclear attractors within the theory of atoms in molecules

  • Author/Authors

    Manuel Alcoba-Leza، نويسنده , , Diego R. and Lain، نويسنده , , Luis and Torre، نويسنده , , Alicia and Bochicchio، نويسنده , , Roberto C.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2005
  • Pages
    5
  • From page
    379
  • To page
    383
  • Abstract
    This Letter describes simple procedures to deal with non-nuclear attractors which are found in some results arising from topological population analyses of the molecular electron density. The proposed treatments have been applied to determine atomic electron populations and bond orders in the acetylene and dilithium molecules, achieving satisfactory chemical results. A detailed discussion of our proposals is reported.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2005
  • Journal title
    Chemical Physics Letters
  • Record number

    1915430