• Title of article

    Paratropic ring currents in cubane

  • Author/Authors

    Havenith، نويسنده , , Remco W.A. and Fowler، نويسنده , , Patrick W. and Steiner، نويسنده , , Erich، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    8
  • From page
    276
  • To page
    283
  • Abstract
    Visualisation, at the ab initio CTOCD-DZ/RHF/6-31G** level, of current density induced in the cubane molecule, C8H8, by a magnetic field along a fourfold axis shows a pair of strong face-localised paratropic ring currents in this saturated system that account for the strong deshielding effects at both face and cube centres predicted in previous calculations.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2003
  • Journal title
    Chemical Physics Letters
  • Record number

    1783581

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1783581