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
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
Journal title :
Chemical Physics Letters