Investigating the use of first-principles calculations for NMR studies of disordered in the solid state (thesis data)

This dataset contains the metadata for this thesis, including a folder "Figures" containing a .pdf version of each figure contained in this thesis, which can be opened using Preview or Adobe Illustrator. The folder "Research metadata" contains all the relevant metadata associated with this thesis, including metadata for NMR spectra and first-principles calculations. NMR spectra metadata can be viewed using Topspin software. Files including .castep, .magres, .cell, .param) can be opened using TextEdit. .cif and .res files can be opened using TextEdit or CrystalMaker software.