Title of article
Semiempirical calculations of aniline oligomers hyperpolarisabilities
Author/Authors
Machado، نويسنده , , A.E.de A. and Petrov، نويسنده , , D.V. and Falcمo، نويسنده , , E.H.L. and da Gama، نويسنده , , A.A.S. and de Azevêdo، نويسنده , , W.M.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
6
From page
451
To page
456
Abstract
Theoretical study of the hyperpolarisabilities β and γ of aniline oligomers is presented. The results obtained for β at the AM1/TDHF level are promising for the emeraldine form, indicating a potential use as a second-order nonlinear optical material. The calculations of static cubic hyperpolarisability of trimers agree with the experimentally observed trends for polyaniline.
Journal title
Chemical Physics Letters
Serial Year
2002
Journal title
Chemical Physics Letters
Record number
1780459
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