| Abstract
| - The nonlinear optical quantities, second and third harmonics (β and γ), were predicted using a quantitativestructure−property relationship (QSPR) approach. Molecular orbital ab initio calculations were applied togenerate easily accessible variables to be used in the partial least-squares analysis. Simplified equations arepresented that could be used to predict the experimental β and γ responses, prior to further investigationsof potentially interesting molecules for use in optical materials.
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