First-Principles Calculation of 17O, 29Si, and 23Na NMR Spectra of Sodium Silicate Crystals and Glasses

By Thibault Charpentier, S. Ispas, Mickael Profeta, F. Mauri, Chris J. Pickard. 2004

159 citations recorded by the source corpus.

Subfields: Ceramics and Composites, Materials Chemistry, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/2e93a6af18ee8d37c4318c573e7b31d8d5474861

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In Ceramics and Composites

1. A. Tilocca

In Materials Chemistry

1. A. Tilocca

In Spectroscopy

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Citations in the corpus

• Structural models of bioactive glasses from molecular dynamics simulations (2009, methodology): “…efficient AIMD methods such as the Car–Parrinello approach (Car & Parrinello 1985) have enabled researchers to look at the properties of silicate glasses with very high accuracy (Ispas et al. 2001; Charpentier et al. 2004; Donadio et al. 2004; Pöhlmann et al. 2004; Tilocca & de Leeuw 2006a,b).”