• Title of article

    Additive models for the molecular polarizability and volume

  • Author/Authors

    Blair، نويسنده , , Shamus A. and Thakkar، نويسنده , , Ajit J.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2014
  • Pages
    4
  • From page
    163
  • To page
    166
  • Abstract
    Additive models for molecular polarizabilities and volumes are created by fitting to data for 298 molecules. Tests on data for the 1641 organic molecules in the TABS database show that the best models have median absolute errors of 2.3% for the polarizability and 1.3% for the volume. Bonding lowers the volume in all 1641 molecules.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2014
  • Journal title
    Chemical Physics Letters
  • Record number

    1937097