Computational Prediction of Electronic and Photovoltaic Properties of Anthracene-Based Organic Dyes for Dye-Sensitized Solar Cells

Table 8

Hyperpolarizabilities of MS3, TY3, and TY6 in the gas phase.

Gas
MS3	221,672	−0.5	−11,899	881	−39,351	35	1874	5715	−14	−934	218,887	−11,899
TY3	−236,112	8336	7172	2538	8946	−50	72	933	18	661	228,473	7172
TY6	754,632	7313	−8155	3421	32,781	322	−420	−97	24	−1037	747,115	−8155