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
Link To Document