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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Brazilian Journal of Physics
Prif Awduron: H. W. Leite Alves, R. L. de Sousa
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Sociedade Brasileira de Física 2006
Pynciau:
Mynediad Ar-lein:https://www.redalyc.org/articulo.oa?id=46436372
Tagiau: Ychwanegu Tag
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