Crystal orbital structures, nonlinear optical

Szostak et al 52 have made calculations of the /Miyperpolarizability of 2-nitroaniline and 2 nitrophenol and for their radical ions and suggest that the latter might have a role in the nonlinear optical response. A localized orbital model of the response of the barium titanate crystal has been developed by Khatib et al 253 Lacroix et al.254 have performed INDO calculations on crystal structures for a highly polarizable zwitterionic merocyanine dye. 

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