Dataset supporting the article 'Efficient prediction of the local electronic structure of ionic liquids from low-cost calculations'

This compressed file is supplementary to the article cited in the 'Related publication' section below. Its contents are two-fold: (1) Experimental X-ray photoelectron spectroscopy data of all ionic liquids studied in the article, in .vms format which can be accessed using CasaXPS and (2) The output files of all the ionic liquids studied computationally. These computational files will allow you to replicate the Density Functional Theory (DFT) calculations using Gaussian 16 shown in the article.