Title of article
Ab initio fragment orbital theory (AFOT): application to some two-photon-absorbing (TPA) molecules
Author/Authors
Das، نويسنده , , G.P and Yeates، نويسنده , , A.T and Dudis، نويسنده , , D.S، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
5
From page
76
To page
80
Abstract
The recently developed AFOT code is applied to investigate the two-photon-absorbing (TPA) properties of some of the bis(styryl) benzene derivatives (BSBD) demonstrated recently to possess large TPA cross sections. The results are compared both with the earlier semi-empirical as well as the more recent density functional calculations.
Journal title
Chemical Physics Letters
Serial Year
2004
Journal title
Chemical Physics Letters
Record number
1912242
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