List of works - Thibault Charpentier

27Al and 29Si solid-state NMR characterization of calcium-aluminosilicate-hydrate

scientific article published on 25 January 2012

31P MAS NMR and DFT study of crystalline phosphate matrices

scientific article published on 21 November 2019

A 23Na magic angle spinning nuclear magnetic resonance, XANES, and high-temperature X-ray diffraction study of NaUO3, Na4UO5, and Na2U2O7.

scientific article published on 18 December 2013

A 93Nb solid-state NMR and density functional theory study of four- and six-coordinate niobate systems.

scientific article published in March 2010

A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts

scientific article

A new look at the structural properties of trisodium uranate Na3UO4.

scientific article published on 23 March 2015

Absence of lateral phase segregation in fatty acid-based catanionic mixtures

scientific article published in February 2010

Accurate quadrupolar NMR relaxation rates of aqueous cations from classical molecular dynamics

scientific article

Al and Sr environment in tectosilicate glasses and melts: Viscosity, Raman and NMR investigation

scholarly article

Alpha Decays Impact on Nuclear Glass Structure

scientific article

An examination of the calcium and strontium site distribution in bioactive glasses through isomorphic neutron diffraction, X-ray diffraction, EXAFS and multinuclear solid state NMR

article

Asymmetric Reaction Paths and Hydrogen Sorption Mechanism in Mechanochemically Synthesized Potassium Alanate (KAlH4)

Atomic Insights into the Events Governing the Borosilicate Glass–Water Interface

scientific article

Boron Speciation in Soda-Lime Borosilicate Glasses Containing Zirconium

Boroxol Rings in Liquid and Vitreous B2O3 from First Principles

scientific article published on 07 August 2008

Calcium environment in silicate and aluminosilicate glasses probed by 43Ca MQMAS NMR experiments and MD-GIPAW calculations

scientific article published on 13 April 2015

Can a simple topological-constraints-based model predict the initial dissolution rate of borosilicate and aluminosilicate glasses?

scientific article

Characterization of Calcium Aluminate Hydrates and Related Hydrates of Cement Pastes by (27)Al MQ-MAS NMR

scientific article published on 01 July 1998

Chemical Durability of Lanthanum-Enriched Borosilicate Glass

scientific article

Chemical and mineralogical modifications of simplified radioactive waste calcine during heat treatment

Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations.

scientific article

Comparison between natural and accelerated carbonation (3% CO2): Impact on mineralogy, microstructure, water retention and cracking

scientific article

Comparison of radiation and quenching rate effects on the structure of a sodium borosilicate glass

scientific article

Composite reinforcement: Recent development of continuous glass fibers

scientific article

Computational interpretation of 23 Na MQMAS NMR spectra: A comprehensive investigation of the Na environment in silicate glasses

Computational simulations of solid state NMR spectra: a new era in structure determination of oxide glasses

scholarly article in RSC Advances, vol. 3 no. 27, 2013

Confined water radiolysis in aluminosilicate nanotubes: the importance of charge separation effects

scientific article

Contribution of first-principles calculations to multinuclear NMR analysis of borosilicate glasses

scientific article published on 05 September 2010

Drivers of Water Transport in Glass: Chemical or Topological Effect of the Glass Network?

scientific article

Effect of 10B(n, α)7Li irradiation on the structure of a sodium borosilicate glass

scientific article published in May 2014

Effect of low dose electron beam irradiation on the alteration layer formed during nuclear glass leaching

scientific article

Effect of temperature and thermal history on borosilicate glass structure

scientific article

Effect of thermally induced structural disorder on the chemical durability of International Simple Glass

scientific article

Efficient Time Propagation Technique for MAS NMR Simulation: Application to Quadrupolar Nuclei

scientific article published in June 1998

Efficient theory of dipolar recoupling in solid-state nuclear magnetic resonance of rotating solids using Floquet-Magnus expansion: application on BABA and C7 radiofrequency pulse sequences

scientific article

Efficient triple-quantum excitation in modified RIACT MQMAS NMR for I=3/2 nuclei

scientific article

Europium Structural Effect on a Borosilicate Glass of Nuclear Interest: Combining Experimental Techniques with Reverse Monte Carlo Modelling to Investigate Short to Medium Range Order

scientific article

Evidence for different behaviors of atmospheric glass alteration as a function of glass composition

scientific article

Exploration of glass domain in the SiO2-B2O3-La2O3 system

scientific article

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass

scientific article published on 29 May 2013

Floquet–Magnus expansion for general N-coupled spins systems in magic-angle spinning nuclear magnetic resonance spectra

scientific article

Glass–water interaction: Effect of high-valence cations on glass structure and chemical durability

scientific article

Hardness and toughness of sodium borosilicate glasses via Vickers's indentations

scientific article

Impact of alkali on the passivation of silicate glass

scientific article

Impact of carbonation on unsaturated water transport properties of cement-based materials

scientific article

Impact of magnesium on the structure of aluminoborosilicate glasses: A solid‐state NMR and Raman spectroscopy study

scientific article

Influence of lanthanum on borosilicate glass structure: A multinuclear MAS and MQMAS NMR investigation

scientific article

Influence of the Nature of Self-Assembled Monolayers on Their Reactivity under Ionizing Radiation: A Solid-State NMR Study

scientific article

Insight into the Crystalline Structure of ThF4 with the Combined Use of Neutron Diffraction, 19F Magic-Angle Spinning-NMR, and Density Functional Theory Calculations

scientific article published on 26 November 2018

Introduction of the Floquet-Magnus expansion in solid-state nuclear magnetic resonance spectroscopy

scientific article published in July 2011

Investigation of alumino-silicate glasses by coupling experiments and simulations: Part I - Structures

scientific article

Measurement of Long-Range Interatomic Distances by Solid-State Tritium-NMR Spectroscopy

scientific article published on 17 February 2010

Modelling borosilicate glasses of nuclear interest with the help of RMC, WAXS, neutron diffraction and 11B NMR

scientific article

Modifications under Irradiation of a Self-Assembled Monolayer Grafted on a Nanoporous Silica Glass: A Solid-State NMR Characterization

scientific article

Multicomponent diffusion in sodium borosilicate glasses

scientific article

Multinuclear NMR of CaSiO(3) glass: simulation from first-principles

scientific article published on 12 April 2010

NMR shifts in aluminosilicate glasses via machine learning

scientific article published on 01 October 2019

New Insights into the Atomic Structure of 45S5 Bioglass by Means of Solid-State NMR Spectroscopy and Accurate First-Principles Simulations

New insight into atmospheric alteration of alkali-lime silicate glasses

scientific article

New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study.

scientific article published on 17 June 2010

New insights into the structure of oxynitride NaPON phosphate glasses by 17-oxygen NMR

Nuclear spin dynamics using time-dependent projection operators: application to the saturation of dipolar order in slowly rotating samples

scientific article

On the Floquet–Magnus expansion: Applications in solid-state nuclear magnetic resonance and physics

scientific article

On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water.

scientific article

Origin and consequences of silicate glass passivation by surface layers

scientific article published on 19 February 2015

Oxide glass structure evolution under swift heavy ion irradiation

scientific article

Paramagnetic defects induced by electron irradiation in barium hollandite ceramics for caesium storage

scientific article published on 07 April 2006

Partial Transformation of Imogolite by Decylphosphonic Acid Yields an Interface Active Composite Material

scientific article published on 06 March 2019

Phase separation and crystallization effects on the structure and durability of molybdenum borosilicate glass

scientific article

Probing silicon and aluminium chemical environments in silicate and aluminosilicate glasses by solid state NMR spectroscopy and accurate first-principles calculations

scholarly article

Production of H 2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study

RE2O3-alkaline earth-aluminosilicate fiber glasses: Melt properties, crystallization, and the network structures

scientific article

Radiolysis of confined water: hydrogen production at a high dose rate.

scientific article

Rare-earth silicate crystallization in borosilicate glasses: Effect on structural and chemical durability properties

scientific article

Revisiting the applications of Floquet–Magnus and Fer expansion approaches in physics and solid-state NMR

scientific article

Scandium and Yttrium Environments in Aluminosilicate Glasses Unveiled by 45Sc/89Y NMR Spectroscopy and DFT Calculations: What Structural Factors Dictate the Chemical Shifts?

scientific article

Self-healing capacity of nuclear glass observed by NMR spectroscopy.

scientific article published on 5 May 2016

Solid-State NMR Spectroscopic Studies of Propylphosphonic Acid Functionalized SBA-15 Mesoporous Silica: Characterization of Hydrogen-Bonding Interactions

scientific article

Solid-state NMR characterization of a controlled-pore glass and of the effects of electron irradiation

scientific article published on 27 December 2007

Structural study of Na2O-B2O3-SiO2 glasses from molecular simulations using a polarizable force field.

scientific article published in October 2017

Structural study of Na2O-B2O3-SiO2-La2O3 glasses from molecular simulations using a polarizable force field

scientific article

Structure and Chemical Durability of Lead Crystal Glass

scientific article published on 10 October 2016

Structure and crystallization behavior of La2O3⋅3B2O3 metaborate glasses doped with Nd3+ or Eu3+ ions

scientific article

Structure of International Simple Glass and properties of passivating layer formed in circumneutral pH conditions

scientific article

Structure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulation, Neutron Diffraction, and Nuclear Magnetic Resonance Studies

scientific article published on 03 October 2018

Study of formation and sequential relaxation of paramagnetic point defects in electron-irradiated Na-aluminosilicate glasses: Influence of Yb

scientific article

Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals

scientific article (publication date: 2016)

Surface and bulk electron irradiation effects in simple and complex glasses

scientific article

Temperature effects on the composition and microstructure of spray-dried nanocomposite powders

scientific article published on 01 April 2006

Tetrahedral germanium in amorphous phase change materials: Exploring the isochemical scenario

scholarly article by Matthieu Micoulaut et al published 29 August 2012 in Physica Status Solidi B

The PAW/GIPAW approach for computing NMR parameters: a new dimension added to NMR study of solids.

scientific article published on 07 May 2011

The structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopy

Triple 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 tensors

scientific article published on 01 October 1998

Using hydrogen isotope incorporation as a tool to unravel the surfaces of hydrogen-treated nanodiamonds

scientific article published on 01 April 2019

X-ray Diffraction and NMR Studies of Na3−nLinAlH6 (n = 0, 1, 2) Alanates Synthesized by High-Pressure Reactive Ball Milling

ZrO 2 addition in soda-lime aluminoborosilicate glasses containing rare earths: Impact on rare earths environment and crystallization

scientific article

ZrO 2 addition in soda-lime aluminoborosilicate glasses containing rare earths: Impact on the network structure

scientific article

List of works by Thibault Charpentier

27Al and 29Si solid-state NMR characterization of calcium-aluminosilicate-hydrate

31P MAS NMR and DFT study of crystalline phosphate matrices

A 23Na magic angle spinning nuclear magnetic resonance, XANES, and high-temperature X-ray diffraction study of NaUO3, Na4UO5, and Na2U2O7.

A 93Nb solid-state NMR and density functional theory study of four- and six-coordinate niobate systems.

A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts

A new look at the structural properties of trisodium uranate Na3UO4.

Absence of lateral phase segregation in fatty acid-based catanionic mixtures

Accurate quadrupolar NMR relaxation rates of aqueous cations from classical molecular dynamics

Al and Sr environment in tectosilicate glasses and melts: Viscosity, Raman and NMR investigation

Alpha Decays Impact on Nuclear Glass Structure

An examination of the calcium and strontium site distribution in bioactive glasses through isomorphic neutron diffraction, X-ray diffraction, EXAFS and multinuclear solid state NMR

Asymmetric Reaction Paths and Hydrogen Sorption Mechanism in Mechanochemically Synthesized Potassium Alanate (KAlH4)

Atomic Insights into the Events Governing the Borosilicate Glass–Water Interface

Boron Speciation in Soda-Lime Borosilicate Glasses Containing Zirconium

Boroxol Rings in Liquid and Vitreous B2O3 from First Principles

Calcium environment in silicate and aluminosilicate glasses probed by 43Ca MQMAS NMR experiments and MD-GIPAW calculations

Can a simple topological-constraints-based model predict the initial dissolution rate of borosilicate and aluminosilicate glasses?

Characterization of Calcium Aluminate Hydrates and Related Hydrates of Cement Pastes by (27)Al MQ-MAS NMR

Chemical Durability of Lanthanum-Enriched Borosilicate Glass

Chemical and mineralogical modifications of simplified radioactive waste calcine during heat treatment

Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations.

Comparison between natural and accelerated carbonation (3% CO2): Impact on mineralogy, microstructure, water retention and cracking

Comparison of radiation and quenching rate effects on the structure of a sodium borosilicate glass

Composite reinforcement: Recent development of continuous glass fibers

Computational interpretation of 23 Na MQMAS NMR spectra: A comprehensive investigation of the Na environment in silicate glasses

Computational simulations of solid state NMR spectra: a new era in structure determination of oxide glasses

Confined water radiolysis in aluminosilicate nanotubes: the importance of charge separation effects

Contribution of first-principles calculations to multinuclear NMR analysis of borosilicate glasses

Drivers of Water Transport in Glass: Chemical or Topological Effect of the Glass Network?

Effect of 10B(n, α)7Li irradiation on the structure of a sodium borosilicate glass

Effect of low dose electron beam irradiation on the alteration layer formed during nuclear glass leaching

Effect of temperature and thermal history on borosilicate glass structure

Effect of thermally induced structural disorder on the chemical durability of International Simple Glass

Efficient Time Propagation Technique for MAS NMR Simulation: Application to Quadrupolar Nuclei

Efficient theory of dipolar recoupling in solid-state nuclear magnetic resonance of rotating solids using Floquet-Magnus expansion: application on BABA and C7 radiofrequency pulse sequences

Efficient triple-quantum excitation in modified RIACT MQMAS NMR for I=3/2 nuclei

Europium Structural Effect on a Borosilicate Glass of Nuclear Interest: Combining Experimental Techniques with Reverse Monte Carlo Modelling to Investigate Short to Medium Range Order

Evidence for different behaviors of atmospheric glass alteration as a function of glass composition

Exploration of glass domain in the SiO2-B2O3-La2O3 system

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass

Floquet–Magnus expansion for general N-coupled spins systems in magic-angle spinning nuclear magnetic resonance spectra

Glass–water interaction: Effect of high-valence cations on glass structure and chemical durability

Hardness and toughness of sodium borosilicate glasses via Vickers's indentations

Impact of alkali on the passivation of silicate glass

Impact of carbonation on unsaturated water transport properties of cement-based materials

Impact of magnesium on the structure of aluminoborosilicate glasses: A solid‐state NMR and Raman spectroscopy study

Influence of lanthanum on borosilicate glass structure: A multinuclear MAS and MQMAS NMR investigation

Influence of the Nature of Self-Assembled Monolayers on Their Reactivity under Ionizing Radiation: A Solid-State NMR Study

Insight into the Crystalline Structure of ThF4 with the Combined Use of Neutron Diffraction, 19F Magic-Angle Spinning-NMR, and Density Functional Theory Calculations

Introduction of the Floquet-Magnus expansion in solid-state nuclear magnetic resonance spectroscopy

Investigation of alumino-silicate glasses by coupling experiments and simulations: Part I - Structures

Measurement of Long-Range Interatomic Distances by Solid-State Tritium-NMR Spectroscopy

Modelling borosilicate glasses of nuclear interest with the help of RMC, WAXS, neutron diffraction and 11B NMR

Modifications under Irradiation of a Self-Assembled Monolayer Grafted on a Nanoporous Silica Glass: A Solid-State NMR Characterization

Multicomponent diffusion in sodium borosilicate glasses

Multinuclear NMR of CaSiO(3) glass: simulation from first-principles

NMR shifts in aluminosilicate glasses via machine learning

New Insights into the Atomic Structure of 45S5 Bioglass by Means of Solid-State NMR Spectroscopy and Accurate First-Principles Simulations

New insight into atmospheric alteration of alkali-lime silicate glasses

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 structure of oxynitride NaPON phosphate glasses by 17-oxygen NMR

Nuclear spin dynamics using time-dependent projection operators: application to the saturation of dipolar order in slowly rotating samples

On the Floquet–Magnus expansion: Applications in solid-state nuclear magnetic resonance and physics

On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water.

Origin and consequences of silicate glass passivation by surface layers

Oxide glass structure evolution under swift heavy ion irradiation

Paramagnetic defects induced by electron irradiation in barium hollandite ceramics for caesium storage

Partial Transformation of Imogolite by Decylphosphonic Acid Yields an Interface Active Composite Material

Phase separation and crystallization effects on the structure and durability of molybdenum borosilicate glass

Probing silicon and aluminium chemical environments in silicate and aluminosilicate glasses by solid state NMR spectroscopy and accurate first-principles calculations

Production of H 2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study

RE2O3-alkaline earth-aluminosilicate fiber glasses: Melt properties, crystallization, and the network structures

Radiolysis of confined water: hydrogen production at a high dose rate.

Rare-earth silicate crystallization in borosilicate glasses: Effect on structural and chemical durability properties

Revisiting the applications of Floquet–Magnus and Fer expansion approaches in physics and solid-state NMR

Scandium and Yttrium Environments in Aluminosilicate Glasses Unveiled by 45Sc/89Y NMR Spectroscopy and DFT Calculations: What Structural Factors Dictate the Chemical Shifts?

Self-healing capacity of nuclear glass observed by NMR spectroscopy.

Solid-State NMR Spectroscopic Studies of Propylphosphonic Acid Functionalized SBA-15 Mesoporous Silica: Characterization of Hydrogen-Bonding Interactions

Solid-state NMR characterization of a controlled-pore glass and of the effects of electron irradiation