Bachelor/master dissertation (Dissertations and theses)
Calculs de paramètres RMN de fluorures inorganiques cristallisés
Bernard, Nicolas
2015
 

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Abstract :
[fr] The goal of this work was to compute the NMR parameters of some crystalline inorganic fluorides using the Gipaw method as implemented in Quantum-Espresso. Notably, we were interested in reproducing (or not) some published results [16, 17] that had been obtained using Castep.
Research center :
Université du Maine - Laboratoire des Oxydes et Fluorures
Disciplines :
Chemistry
Physics
Author, co-author :
Bernard, Nicolas ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Computer Science and Communications Research Unit (CSC)
Language :
French
Title :
Calculs de paramètres RMN de fluorures inorganiques cristallisés
Alternative titles :
[en] Computation of the NMR parameters of some inorganic fluorides
Defense date :
June 2015
Number of pages :
34
Institution :
Université du Maine, Le Mans, France
Degree :
M1 chimie
Promotor :
Legein, Christophe
Body, Monique
Available on ORBilu :
since 11 October 2017

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