[10] 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 and L. Delevoye
Solid State Nuclear Magnetic Resonance, Volume 84, 2017, Pages 210-215, ISSN 0926-2040, https://doi.org/10.1016/j.ssnmr.2017.05.003.
[9] 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, M. Fournier, A. Mesbah and F. Vasconcelos
J. Non-Crys. Sol., 427, 120 (2015) doi:10.1016/j.jnoncrysol.2015.07.001
[8] Finite-field implementation of NMR chemical shifts for molecules: direct and converse GIPAW methods
F. Vasconcelos , G. A. de Wijs, R. W.A. Havenith, M. Marsman and G. Kresse
J Chem. Phys., 139, 1 (2013) http://scitation.aip.org/content/aip/journal/jcp/139/1/10.1063/1.4810799
[7] Extended Czjzek model applied to NMR parameters distributions in sodium metaphosphate glass
F. Vasconcelos, S. Cristol, J.-F. Paul, L. Delevoye , F. Mauri , T. Charpentier and G. Le Caër
J. Phys.: Condens. Matter, 25, 255402 (2013) http://dx.doi.org/10.1088/0953-8984/25/25/255402
[6] Dependence of the fragility of a glass former on the softness of interparticle interactions
S. Sengupta, F. Vasconcelos, F. Affouard, and S. Sastry
J. Chem. Phys., 135, 194503 (2011); http://link.aip.org/link/doi/10.1063/1.3660201
[5] Hydrogen bonding and chemical shift assignments in carbazole functionalized isocyanides from solid-state NMR and first-principles calculations
C. M. Gowda, F. Vasconcelos , E. Schwartz, E. R. H. van Eck , M. Marsman , JJLM Cornelissen, AE Rowan , G. A. de Wijs and APM Kentgens
Phys. Chem. Chem. Phys., 13, 13082 (2011), http://dx.doi.org/10.1039/C1CP20304E
[4] First-principles calculations of NMR parameters for phosphate materials
F. Vasconcelos, S. Cristol, J.-F. Paul, L. Montagne, F. Mauri and L. Delevoye
Magn. Res. Chem., 48, S142, (2010), http://dx.doi.org/10.1002/mrc.2667
[3] 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, J.-F. Paul, L. Montagne, T. Charpentier, F. Mauri and L. Delevoye
Phys. Chem. Chem. Phys., 12, 9054 (2010), http://dx.doi.org/10.1039%2fc003550e
[2] 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. Trebosc, S. Cristol, F. Deng and J.-P. Amoureux
J. Phys. Chem. A, 113 12864-12878 (2009), http://pubs.acs.org/doi/abs/10.1021/jp906099k
[1] 17O Solid-state NMR and first-principles calculations of sodium trimetaphosphate Na3P3O9, tripolyphosphate Na5P3O10 and pyrophosphate Na4P2O7
F. Vasconcelos, S. Cristol, J-F. Paul, G. Tricot, J-P. Amoureux, L. Montagne, F. Mauri and L. Delevoye
Inorg. Chem. 47 (16) 7327-7337 (2008), http://pubs.acs.org/doi/abs/10.1021/ic800637p