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
464 2016 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
433 2011 27 Al and 29 Si Solid-State NMR Characterization of Calcium-Aluminosilicate-HydrateX Pardal, F Brunet, T Charpentier, I Pochard, A Nonat
Inorganic chemistry 51 (3), 1827-1836, 2012
311 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
301 2015 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
235 2018 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
217 2004 Boroxol Rings in Liquid and Vitreous G Ferlat, T Charpentier, AP Seitsonen, A Takada, M Lazzeri, L Cormier, ...
Physical review letters 101 (6), 065504, 2008
183 2008 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
174 2015 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
172 2010 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—Condensed Matter and Materials Physics 85 (5), 054110, 2012
159 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
155 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
144 2010 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
141 2015 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
141 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
137 1998 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
127 2006 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
126 2000 Application of 29 Si Homonuclear and 1 H−29 Si 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
125 2004 Structure of International Simple Glass and properties of passivating layer formed in circumneutral pH conditions M Collin, M Fournier, P Frugier, T Charpentier, M Moskura, L Deng, ...
npj Materials Degradation 2 (1), 4, 2018
122 2018 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
119 2010 
Daniel CaurantInstitut de Recherche de Chimie ParisAdresă de e-mail confirmată pe chimieparistech.psl.eu