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Dataset on the piezo-spectroscopic behaviour of hydroxylapatite: Effect of mechanical stress on the Raman and Infrared vibrational bands from ab initio quantum mechanical simulations
This article reports data on the vibrational (Raman and Infrared) behavior of hydroxylapatite [OHAp, Ca(10)(PO(4))(6)(OH)(2), space group P6(3)] under mechanical stress, which were discussed in details in the work of Ulian and Valdrè (2017) [1]. The dataset has been obtained by ab initio quantum mec...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5996259/ https://www.ncbi.nlm.nih.gov/pubmed/29900195 http://dx.doi.org/10.1016/j.dib.2018.03.035 |