• Title of article

    A simple additive model for polarizabilities: Application to amino acids

  • Author/Authors

    Kassimi، نويسنده , , Noureddin El-Bakali and Thakkar، نويسنده , , Ajit J.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2009
  • Pages
    5
  • From page
    232
  • To page
    236
  • Abstract
    A simple additive model for the isotropic, dipole polarizabilities (α) of molecules is considered. It is successfully tested on ab initio MP2 values of several small molecules. Then it is used to predict values of α for the 20 proteinogenic amino acids. The results are in good agreement with previous ab initio calculations and, through cancellation of errors arising from the neglect of some small effects, also with experiment.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2009
  • Journal title
    Chemical Physics Letters
  • Record number

    1926277