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Solid State Nuclear Magnetic Resonance|May 27, 2011
The PAW/GIPAW approach for computing NMR parameters: a new dimension added to NMR study of solidsThibault Charpentier
Faraday Discussions|September 16, 2024
First-principles NMR of oxide glasses boosted by machine learningThibault Charpentier
The Journal of Chemical Physics|August 3, 2011
Introduction of the Floquet-Magnus expansion in solid-state nuclear magnetic resonance spectroscopyEugène S Mananga, Thibault Charpentier
Journal of Cheminformatics|April 5, 2016
Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystalsKirill Okhotnikov, Thibault Charpentier, Sylvian Cadars
Journal of Magnetic Resonance (San Diego, Calif. : 1997)|February 16, 2002
Efficient triple-quantum excitation in modified RIACT MQMAS NMR for I=3/2 nucleiKwang Hun Lim, Thibault Charpentier, Alexander Pines
Physical Chemistry Chemical Physics : PCCP|April 13, 2010
Multinuclear NMR of CaSiO(3) glass: simulation from first-principlesAlfonso Pedone, Thibault Charpentier, Maria Cristina Menziani
Solid State Nuclear Magnetic Resonance|December 27, 2011
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 sequencesEugene S Mananga, Alicia E Reid, Thibault Charpentier
The Journal of Chemical Physics|November 23, 2015
On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in waterAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
The Journal of Physical Chemistry. B|October 24, 2014
Accurate quadrupolar NMR relaxation rates of aqueous cations from classical molecular dynamicsAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
The Journal of Chemical Physics|October 27, 2016
Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cationsAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
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