The vibrational spectra and far-infrared (IR) absorption of DAST crystal have been investigated by first-principles calculations. The calculated vibrational frequencies have been overestimated and frequency interval have been divided on two-parts: the low-frequency region where lattice phonon modes are the most important and the high-frequency region with main intramolecular contribution in IR absorption intensity.


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    Titel :

    Far-infrared absorption of DAST: theoretical study


    Beteiligte:
    Inerbaev, T.M. (Autor:in) / Belosludov, R.V. (Autor:in) / Mizuseki, H. (Autor:in) / Takahashi, M. (Autor:in) / Saito, S. (Autor:in) / Kawazoe, Y. (Autor:in)


    Erscheinungsdatum :

    01.01.2005


    Format / Umfang :

    379893 byte




    Medientyp :

    Aufsatz (Konferenz)


    Format :

    Elektronische Ressource


    Sprache :

    Englisch



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