Title of article
Local mode overtone intensities of SiH4 and GeH4 from a bond dipole model with an ab initio calculated dipole moment surface
Author/Authors
Lin، نويسنده , , Hai and Yuan، نويسنده , , Lan-Feng and Zhu، نويسنده , , Qing-Shi، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
5
From page
137
To page
141
Abstract
The absorption intensities of the local mode overtones of SiH4 and GeH4 were investigated by a bond dipole model with ab initio calculated dipole moment surfaces, which were obtained by using the density functional method B3PW91 with a 6-311++G(3df, 2pd) basis set and then fitted to the Mecke type function. The calculated overtone intensities agree with the observed values.
Journal title
Chemical Physics Letters
Serial Year
1999
Journal title
Chemical Physics Letters
Record number
1778643
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