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
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