about
Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystalsRadiolysis of confined water: hydrogen production at a high dose rate.On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water.Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations.The PAW/GIPAW approach for computing NMR parameters: a new dimension added to NMR study of solids.Self-healing capacity of nuclear glass observed by NMR spectroscopy.Origin and consequences of silicate glass passivation by surface layers.Absence of lateral phase segregation in fatty acid-based catanionic mixtures.Multinuclear NMR of CaSiO(3) glass: simulation from first-principles.Accurate quadrupolar NMR relaxation rates of aqueous cations from classical molecular dynamics.Efficient triple-quantum excitation in modified RIACT MQMAS NMR for I=3/2 nuclei.A 93Nb solid-state NMR and density functional theory study of four- and six-coordinate niobate systems.Nuclear spin dynamics using time-dependent projection operators: application to the saturation of dipolar order in slowly rotating samples.Structural study of Na2O-B2O3-SiO2 glasses from molecular simulations using a polarizable force field.A new look at the structural properties of trisodium uranate Na3UO4.Introduction of the Floquet-Magnus expansion in solid-state nuclear magnetic resonance spectroscopy.Efficient Time Propagation Technique for MAS NMR Simulation: Application to Quadrupolar Nuclei.Structure and Chemical Durability of Lead Crystal Glass.A 23Na magic angle spinning nuclear magnetic resonance, XANES, and high-temperature X-ray diffraction study of NaUO3, Na4UO5, and Na2U2O7.New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study.New Insights into the Atomic Structure of 45S5 Bioglass by Means of Solid-State NMR Spectroscopy and Accurate First-Principles SimulationsStructure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulation, Neutron Diffraction, and Nuclear Magnetic Resonance StudiesAn examination of the calcium and strontium site distribution in bioactive glasses through isomorphic neutron diffraction, X-ray diffraction, EXAFS and multinuclear solid state NMRProduction of H 2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical studyAsymmetric Reaction Paths and Hydrogen Sorption Mechanism in Mechanochemically Synthesized Potassium Alanate (KAlH4)X-ray Diffraction and NMR Studies of Na3−nLinAlH6 (n = 0, 1, 2) Alanates Synthesized by High-Pressure Reactive Ball MillingCalcium environment in silicate and aluminosilicate glasses probed by 43Ca MQMAS NMR experiments and MD-GIPAW calculationsComputational interpretation of 23 Na MQMAS NMR spectra: A comprehensive investigation of the Na environment in silicate glassesProbing silicon and aluminium chemical environments in silicate and aluminosilicate glasses by solid state NMR spectroscopy and accurate first-principles calculationsComputational simulations of solid state NMR spectra: a new era in structure determination of oxide glassesThe structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopyTetrahedral germanium in amorphous phase change materials: Exploring the isochemical scenarioMeasurement of Long-Range Interatomic Distances by Solid-State Tritium-NMR SpectroscopyExtended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glassInsight into the Crystalline Structure of ThF4 with the Combined Use of Neutron Diffraction, 19F Magic-Angle Spinning-NMR, and Density Functional Theory CalculationsCharacterization of Calcium Aluminate Hydrates and Related Hydrates of Cement Pastes by (27)Al MQ-MAS NMRTriple quantum MQMAS spectroscopy of 59Co(I = 7/2) in Na3Co(NO2)6 and trans-Co[(en2)(NO2)2]NO3 interplay between the quadrupole coupling and anisotropic shielding tensorsSolid-state NMR characterization of a controlled-pore glass and of the effects of electron irradiationBoroxol Rings in Liquid and Vitreous B2O3 from First PrinciplesTemperature effects on the composition and microstructure of spray-dried nanocomposite powders
P50
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Thibault Charpentier
@ast
Thibault Charpentier
@en
Thibault Charpentier
@es
Thibault Charpentier
@nl
Thibault Charpentier
@sl
type
label
Thibault Charpentier
@ast
Thibault Charpentier
@en
Thibault Charpentier
@es
Thibault Charpentier
@nl
Thibault Charpentier
@sl
prefLabel
Thibault Charpentier
@ast
Thibault Charpentier
@en
Thibault Charpentier
@es
Thibault Charpentier
@nl
Thibault Charpentier
@sl
P1053
A-3557-2010
P106
P108
P1153
6701926044
P2038
Thibault_Charpentier
P21
P31
P3829
P3835
thibault-charpentier
P496
0000-0002-3034-1389