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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 25, 2024
Accelerating NMR Shielding Calculations Through Machine Learning Methods: Application to Magnesium Sodium Silicate GlassesMarco Bertani, Alfonso Pedone, Francesco Faglioni, et al.
Journal of Chemical Theory and Computation|January 13, 2024
Accurate and Transferable Machine Learning Potential for Molecular Dynamics Simulation of Sodium Silicate GlassesMarco Bertani, Thibault Charpentier, Francesco Faglioni, et al.
Physical Chemistry Chemical Physics : PCCP|August 8, 2019
NMR shifts in aluminosilicate glasses via machine learningZiyad Chaker, Mathieu Salanne, Jean-Marc Delaye, et al.
Inorganic Chemistry|January 27, 2012
27Al and 29Si solid-state NMR characterization of calcium-aluminosilicate-hydrateXiaolin Pardal, Francine Brunet, Thibault Charpentier, et al.
Environmental Science & Technology|October 12, 2016
Structure and Chemical Durability of Lead Crystal GlassFrédéric Angeli, Patrick Jollivet, Thibault Charpentier, et al.
Solid State Nuclear Magnetic Resonance|December 7, 2019
31P MAS NMR and DFT study of crystalline phosphate matricesLaura Martel, Attila Kovács, Karin Popa, et al.
Magnetic Resonance in Chemistry : MRC|September 7, 2010
Contribution of first-principles calculations to multinuclear NMR analysis of borosilicate glassesAnne Soleilhavoup, Jean-Marc Delaye, Frédéric Angeli, et al.
The Journal of Chemical Physics|April 9, 2022
Behaviors of sodium and calcium ions at the borosilicate glass-water interface: Gaining new insights through an ab initio molecular dynamics studyHicham Jabraoui, Thibault Charpentier, Stéphane Gin, et al.
Inorganic Chemistry|September 25, 2023
Structural Modeling of O/F Correlated Disorder in TaOF3 and NbOF3-(OH) by Coupling Solid-State NMR and DFT CalculationsOuail Zakary, Monique Body, Thibault Charpentier, et al.
Inorganic Chemistry|March 12, 2025
Revealed Preferential Short-Range Anion Ordering in Disordered RbM2O5F (M = Nb, Ta) Pyrochlore-Type OxyfluoridesOuail Zakary, Monique Body, Vincent Sarou-Kanian, et al.
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