Filipe Vasconcelos
Filipe Vasconcelos
ESME SUDRIA
Email verificata su esme.fr - Home page
Titolo
Citata da
Citata da
Anno
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
602009
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), 194503, 2011
542011
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
292008
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
282015
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
232010
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
202011
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
172010
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), 014109, 2013
142013
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
142013
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
52017
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, ...
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, ...
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, A 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 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 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, ...
2010
RMN premiers principes de l’17O appliqués à l’étude des phosphates cristallins et amorphes
F Vasconcelos
Lille 1, 2009
2009
Structure optimization of phosphates by 17O NMR and first-principles calculations
F Vasconcelos, S Cristol, L Delevoye, G Tricot, JF Paul, L Montagne
2007
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20