Title of article
On the effect of Pauli repulsion and dispersion on static molecular polarizabilities and hyperpolarizabilities in solution
Author/Authors
Mennucci، نويسنده , , Benedetta and Amovilli، نويسنده , , Claudio and Tomasi، نويسنده , , Jacopo، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
5
From page
221
To page
225
Abstract
A study of the effect of repulsion and dispersion solute–solvent interactions on solute (hyper)polarizabilities is reported. The calculations have been performed within the polarizable continuum model and include the electrostatic contribution. The results show a negligible effect due to dispersion while for repulsion a substantial effect, especially on the second hyperpolarizabilities, has been found.
Journal title
Chemical Physics Letters
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1772829
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