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

Auteur(s): Olivi-Tran N., Ferchichi Abdel karim, Etienne-Calas S., Etienne P.

(Article) Publié: Journal Of Non-Crystalline Solids, vol. 356 p.287-289 (2010)
Texte intégral en Openaccess : arxiv


Ref HAL: hal-00486201_v1
DOI: 10.1016/j.jnoncrysol.2009.12.009
WoS: 000275574000001
Exporter : BibTex | endNote
Résumé:

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