Simona Ispas

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

Thibault Charpentier, Simona Ispas, Mickaël Profeta et al. · The Journal of Physical Chemistry B · 2004 · 185 citations

Natural Sciences, Materials Science, Physics +17

Insight into sodium silicate glass structural organization by multinuclear NMR combined with first-principles calculations

Frédéric Angeli, Olivier Villain, Sophie Schuller et al. · Geochimica et Cosmochimica Acta · 2011 · 132 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +16

Model of silica glass from combined classical and ab initio molecular-dynamics simulations

Magali Benoit, Simona Ispas, Philippe Jund et al. · The European Physical Journal B · 2000 · 128 citations

Natural Sciences, Materials Science, Physics +14

Amorphous silica modeled with truncated and screened Coulomb interactions: A molecular dynamics simulation study

Antoine Carré, Ludovic Berthier, Jürgen Horbach et al. · The Journal of Chemical Physics · 2007 · 101 citations · Full text

Natural Sciences, Materials Science, Physics +17

Structural properties of lithium and sodium tetrasilicate glasses: Molecular dynamics simulations versus NMR experimental and first-principles data

Simona Ispas, Thibault Charpentier, Francesco Mauri et al. · Solid State Sciences · 2009 · 61 citations

Natural Sciences, Chemistry, Materials Science +13