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Total electronic energy by tight binding approximation and experimental toughness of three different hybrid polymers
Journal article   Peer reviewed

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

Nathalie Olivi-Tran, Abdelkarim Ferchichi, S. Calas and Pascal Etienne
Journal of Non-Crystalline Solids, Vol.356(6-8), pp.287-289
2010

Abstract

We computed by a modified tight binding approximation, the total electronic energy of three different hybrid polymers: H-Sio(2), CH3-SiO2 and C6H5-SiO2. We made the hypothesis that the structures of these polymers are amorphous. Computational results regarding the total electronic energy and experimental data [1] on the toughness of these three hybrid polymers were compared. A good qualitative agreement was found between computations and experiments
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