• Title of article

    Linearized ring current models for the retrieval of π ring current strength in monocycles

  • Author/Authors

    Monaco، نويسنده , , Guglielmo and Zanasi، نويسنده , , Riccardo، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    6
  • From page
    247
  • To page
    252
  • Abstract
    Three different ring current models (RCMs) have been used to study the relationship between the π contribution to parallel NICS scans and the ring current strength for monocycles. The models have been linearized and they have been applied to retrieve the ab initio ring current strengths in a set of 28 organic and inorganic monocycles. The two less trivial linearized models are effective in reproducing scans of the π components, and the best of them reproduces the ab initio current strength and the π contribution to the parallel magnetizability at 7% and 11% relative error, respectively.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2013
  • Journal title
    Chemical Physics Letters
  • Record number

    1935790