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

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dc.creatorOlivi-Tran, N.
dc.creatorFerchichi, A.
dc.creatorCalas, S.
dc.creatorEtienne, P.
dc.date2008-11-10
dc.date.accessioned2026-07-07T10:17:14Z
dc.date.available2026-07-07T10:17:14Z
dc.descriptionWe 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.
dc.description10 pages 2 tables 3 figures
dc.identifierhttps://arxiv.org/abs/0811.1487
dc.identifierhttp://arxiv.org/abs/0811.1487
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/173781
dc.subjectMaterials Science
dc.titleTotal electronic energy by tight binding approximation and experimental toughness of three different hybrid polymers
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