Indirect detection via spin-1/2 nuclei in solid state NMR spectroscopy: application to the observation of proximities between protons and quadrupolar nuclei O Lafon, Q Wang, B Hu, F Vasconcelos, J Trébosc, S Cristol, F Deng, ... The Journal of Physical Chemistry A 113 (46), 12864-12878, 2009 | 92 | 2009 |
Dependence of the fragility of a glass former on the softness of interparticle interactions S Sengupta, F Vasconcelos, F Affouard, S Sastry The Journal of chemical physics 135 (19), 2011 | 75 | 2011 |
Phase separation and crystallization effects on the structure and durability of molybdenum borosilicate glass E Nicoleau, S Schuller, F Angeli, T Charpentier, P Jollivet, A Le Gac, ... Journal of Non-Crystalline Solids 427, 120-133, 2015 | 59 | 2015 |
Hydrogen bonding and chemical shift assignments in carbazole functionalized isocyanides from solid-state NMR and first-principles calculations CM Gowda, F Vasconcelos, E Schwartz, ERH van Eck, M Marsman, ... Physical Chemistry Chemical Physics 13 (28), 13082-13095, 2011 | 40 | 2011 |
First‐principles calculations of NMR parameters for phosphate materials F Vasconcelos, S Cristol, JF Paul, L Montagne, F Mauri, L Delevoye Magnetic Resonance in Chemistry 48 (S1), S142-S150, 2010 | 32 | 2010 |
17O solid-state NMR and first-principles calculations of sodium trimetaphosphate (Na3P3O9), tripolyphosphate (Na5P3O10), and pyrophosphate (Na4P2O7) F Vasconcelos, S Cristol, JF Paul, G Tricot, JP Amoureux, L Montagne, ... Inorganic chemistry 47 (16), 7327-7337, 2008 | 32 | 2008 |
Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass F Vasconcelos, S Cristol, JF Paul, L Delevoye, F Mauri, T Charpentier, ... Journal of Physics: Condensed Matter 25 (25), 255402, 2013 | 22 | 2013 |
New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study N Forler, F Vasconcelos, S Cristol, JF Paul, L Montagne, T Charpentier, ... Physical Chemistry Chemical Physics 12 (31), 9053-9062, 2010 | 19 | 2010 |
Finite-field implementation of NMR chemical shieldings for molecules: Direct and converse gauge-including projector-augmented-wave methods F Vasconcelos, GA de Wijs, RWA Havenith, M Marsman, G Kresse The Journal of Chemical Physics 139 (1), 2013 | 17 | 2013 |
31P MAS NMR spectroscopy with 93Nb decoupling and DFT calculations: A structural characterization of defects in a niobium-phosphate phase G Girard, F Vasconcelos, L Montagne, L Delevoye Solid State Nuclear Magnetic Resonance 84, 210-215, 2017 | 10 | 2017 |
l. Montagne, T. Charpentier, F. Mauri and l. Delevoye N Forler, F Vasconcelos, S Cristol, JF Paul Phys. Chem. Chem. Phys 12, 9054-9063, 2010 | 6 | 2010 |
New insights into oxide glass structure from a combined experimental and computational solid-state NMR approach T Charpentier, F Vasconcelos, M Salanne, JM Delaye, F Pacaud, F Angeli, ... Glass & Optical Materials Division (GOMD) Annual Meeting 2015, 2015 | | 2015 |
Combining experimental and computational solid state NMR: A new tool for structure determination of borosilicate glass T Charpentier, F Vasconcelos, H Trégouët, D Caurant, M Salanne, ... iMR CdT Research COnference, 2015 | | 2015 |
Etude des verres d'oxydes par dynamique moléculaire à champ de force polarisable et RMN premiers principes F Vasconcelos, T Charpentier, M Salanne, JM Delaye, F Pacaud, F Angeli, ... Workshop SIMADES, 2014 | | 2014 |
Glass structure form a combined experimental and computational solid-state NMR Approach: the MD-GIPAW method T Charpentier, F Vasconcelos, G Ferlat, H Trégouët, D Caurant, ... The International conference on phosphate glasses, 2014 | | 2014 |
First-principles and experimental NMR study of sodium silicate glasses T Charpentier, F Vasconcelos, M Salanne, O Villain, AP Seitsonen, ... Winter Modeling, 2014 | | 2014 |
The dependence of fraglity of glass forming liquids on interparticle interactions and density S Sastry, S Sengupta, F Affouard, F Vasconcelos APS March Meeting Abstracts 2012, A53. 001, 2012 | | 2012 |
Dehydrogenation of LiBH4 nanoclusters: A first-principles study E Hazrati, F Vasconcelos, G Brocks, R de Groot, G de Wijs APS March Meeting Abstracts 2012, D26. 010, 2012 | | 2012 |
New insights into oxygen environments generated during phosphate glass alteration: a combined {sup 17} O MAS and MQMAS NMR and first principles calculations study N Forler, F Vasconcelos, S Cristol, JF Paul, L Montagne, L Delevoye, ... Physical Chemistry Chemical Physics. PCCP (Print) 12, 2010 | | 2010 |
RMN premiers principes de l’17O appliqués à l’étude des phosphates cristallins et amorphes F Vasconcelos Lille 1, 2009 | | 2009 |