| 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), 17, 2016 | 554 | 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 | 459 | 2011 |
| 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 | 359 | 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 | 331 | 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 | 299 | 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 | 227 | 2004 |
| 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 | 202 | 2015 |
| Boroxol Rings in Liquid and Vitreous from First Principles G Ferlat, T Charpentier, AP Seitsonen, A Takada, M Lazzeri, L Cormier, ... Physical review letters 101 (6), 065504, 2008 | 196 | 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 | 180 | 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 | 175 | 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 | 173 | 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 | 163 | 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 | 152 | 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 | 150 | 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 | 147 | 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 | 135 | 2006 |
| 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 | 134 | 2018 |
| 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 | 132 | 2004 |
| 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 | 128 | 2000 |
| 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 | 127 | 2010 |
Daniel CaurantInstitut de Recherche de Chimie ParisVerified email at chimieparistech.psl.eu
