Total electronic energy by tight binding approximation and experimental toughness of three different hybrid polymers

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We computed by a modified tight binding approximation, the total electronic energy of three different hybrid polymers: $H-SiO_2$, $CH_3-SiO_2$ and $C_6H_5-SiO_2$. We made the hypothesis that the structures of these polymers are amorphous. Computational results regarding the total electronic energy and experimental data \cite{ferchichi} on the toughness of these three hybrid polymers were compared. A good qualitative agreement was found between computations and experiments.
10 pages 2 tables 3 figures

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Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/173781

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0811.1487
 http://arxiv.org/abs/0811.1487

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arXiv