Research data supporting: Structural Characterization of the Li-Ion Battery Cathode Materials LiTixMn2−xO4 (0.2 ≤ x ≤ 1.5): A Combined Experimental 7Li NMR and First-Principles Study


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Type
Dataset
Change log
Authors
Pigliapochi, R 
Merlet, Céline 
Description

Reverse Monte Carlo program for NMR spectra simulations; Hyperfine Fermi contact shift results

Version
Software / Usage instructions
Home-written code for the Reverse Monte Carlo program; CRYSTAL14 used for the hyperfine calculations
Keywords
Reverse Monte Carlo, Hyperfine Calculation, Fermi contact shift, Paramagnetic NMR
Publisher
Sponsorship
European Commission (317127)
Relationships
Supplements: