| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5390430 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
Comparison of experimental data from SHG experiments for a set of push-pull chromophores with their theoretical counterparts obtained at the DFT level of theory by means of response theory. The importance of solvent effects and of the right choice of functional is clearly shown. The solvent effect has been included with the polarizable continuum model.
Related Topics
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Physical and Theoretical Chemistry
Authors
Lara Ferrighi, Luca Frediani, Chiara Cappelli, PaweÅ SaÅek, Hans Ã
gren, Trygve Helgaker, Kenneth Ruud,