Resumo

INCHAUSTEGUI, Jean P  e  PUMACHAGUA, Rodolfo. Theoretical study of nonlinear optical properties in 3-substituted-4-amino-4'-nitro diphenylsulfide. Rev. Soc. Quím. Perú [online]. 2014, vol.80, n.3, pp.157-163. ISSN 1810-634X.

This work identifies the structural and optical properties of species 4-amino-4'- nitrodiphenilsulfide such as: static dipole moment (ì), mean polarizability (á₀), anisotropy of the polarizability (Äá) and the first hyperpolarizability average (â₀). Data were obtained through the theory of the density functional, using B3LYP hybrid functional and feature 6- 31G basis.

Palavras-chave : Nonlinear optics; dipolar moment; polarizability; hyperpolarizability; diphenyl sulfide.

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