The PAW/GIPAW approach for computing NMR parameters: A new dimension added to NMR study of solids T Charpentier Solid state nuclear magnetic resonance 40 (1), 1-20, 2011 | 412 | 2011 |
Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals K Okhotnikov, T Charpentier, S Cadars Journal of cheminformatics 8, 1-15, 2016 | 386 | 2016 |
27Al and 29Si Solid-State NMR Characterization of Calcium-Aluminosilicate-Hydrate X Pardal, F Brunet, T Charpentier, I Pochard, A Nonat Inorganic chemistry 51 (3), 1827-1836, 2012 | 297 | 2012 |
Origin and consequences of silicate glass passivation by surface layers S Gin, P Jollivet, M Fournier, F Angeli, P Frugier, T Charpentier Nature Communications 6 (1), 6360, 2015 | 280 | 2015 |
First-principles calculation of 17O, 29Si, and 23Na NMR spectra of sodium silicate crystals and glasses T Charpentier, S Ispas, M Profeta, F Mauri, CJ Pickard The Journal of Physical Chemistry B 108 (13), 4147-4161, 2004 | 211 | 2004 |
Comparison between natural and accelerated carbonation (3% CO2): Impact on mineralogy, microstructure, water retention and cracking M Auroy, S Poyet, P Le Bescop, JM Torrenti, T Charpentier, M Moskura, ... Cement and Concrete Research 109, 64-80, 2018 | 194 | 2018 |
Boroxol rings in liquid and vitreous B 2 O 3 from first principles G Ferlat, T Charpentier, AP Seitsonen, A Takada, M Lazzeri, L Cormier, ... Physical review letters 101 (6), 065504, 2008 | 172 | 2008 |
New insights into the atomic structure of 45S5 bioglass by means of solid-state NMR spectroscopy and accurate first-principles simulations A Pedone, T Charpentier, G Malavasi, MC Menziani Chemistry of Materials 22 (19), 5644-5652, 2010 | 165 | 2010 |
Impact of carbonation on unsaturated water transport properties of cement-based materials M Auroy, S Poyet, P Le Bescop, JM Torrenti, T Charpentier, M Moskura, ... Cement and concrete research 74, 44-58, 2015 | 158 | 2015 |
Effect of temperature and thermal history on borosilicate glass structure F Angeli, O Villain, S Schuller, T Charpentier, D de Ligny, L Bressel, ... Physical review B 85 (5), 054110, 2012 | 153 | 2012 |
Boron speciation in soda‐lime borosilicate glasses containing zirconium F Angeli, T Charpentier, D De Ligny, C Cailleteau Journal of the American Ceramic Society 93 (9), 2693-2704, 2010 | 145 | 2010 |
Structural investigations of borosilicate glasses containing MoO3 by MAS NMR and Raman spectroscopies D Caurant, O Majérus, E Fadel, A Quintas, C Gervais, T Charpentier, ... Journal of nuclear materials 396 (1), 94-101, 2010 | 140 | 2010 |
Insight into sodium silicate glass structural organization by multinuclear NMR combined with first-principles calculations F Angeli, O Villain, S Schuller, S Ispas, T Charpentier Geochimica et Cosmochimica Acta 75 (9), 2453-2469, 2011 | 134 | 2011 |
Characterization of calcium aluminate hydrates and related hydrates of cement pastes by 27Al MQ-MAS NMR P Faucon, T Charpentier, D Bertrandie, A Nonat, J Virlet, JC Petit Inorganic chemistry 37 (15), 3726-3733, 1998 | 127 | 1998 |
Hardness and toughness of sodium borosilicate glasses via Vickers's indentations M Barlet, JM Delaye, T Charpentier, M Gennisson, D Bonamy, T Rouxel, ... Journal of Non-Crystalline Solids 417, 66-79, 2015 | 124 | 2015 |
Influence of glass chemical composition on the Na–O bond distance: a 23Na 3Q-MAS NMR and molecular dynamics study F Angeli, JM Delaye, T Charpentier, JC Petit, D Ghaleb, P Faucon Journal of Non-Crystalline Solids 276 (1-3), 132-144, 2000 | 123 | 2000 |
Application of 29Si Homonuclear and 1H−29Si Heteronuclear NMR Correlation to Structural Studies of Calcium Silicate Hydrates F Brunet, P Bertani, T Charpentier, A Nonat, J Virlet The Journal of Physical Chemistry B 108 (40), 15494-15502, 2004 | 121 | 2004 |
Influence of glass composition and alteration solution on leached silicate glass structure: a solid-state NMR investigation F Angeli, M Gaillard, P Jollivet, T Charpentier Geochimica et Cosmochimica Acta 70 (10), 2577-2590, 2006 | 119 | 2006 |
Triple-quantum two-dimensional 27Al magic angle nuclear magnetic resonance study of the aluminum incorporation in calcium silicate hydrates P Faucon, T Charpentier, A Nonat, JC Petit Journal of the American Chemical Society 120 (46), 12075-12082, 1998 | 114 | 1998 |
Characterization by solid-state NMR and selective dissolution techniques of anhydrous and hydrated CEM V cement pastes F Brunet, T Charpentier, CN Chao, H Peycelon, A Nonat Cement and Concrete Research 40 (2), 208-219, 2010 | 113 | 2010 |