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Ab Initio Calculation of the Dynamical Properties of PPP and PPV
We have calculated the vibrational modes and frequencies of the crystalline PPP (in both the Pbam andPnnm symmetries) and PPV (in the P21/c symmetry). Our results are in good agreement with the availableexperimental data. Also, we have calculated the temperature dependence of their specific heats at...
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| Publicado no: | Brazilian Journal of Physics |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Sociedade Brasileira de Física
2006
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| Assuntos: | |
| Acesso em linha: | https://www.redalyc.org/articulo.oa?id=46436372 |
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