Raw data supporting the publication: Origin of the 31P NMR Chemical Shift in Lewis Acid Adducts of Triethylphosphine Oxide. Does the Gutmann-Beckett Method Relate to Lewis Acid Strength?

This repository contains the raw computational data associated with the paper: "Origin of the 31P NMR Chemical Shift in Lewis Acid Adducts of Triethylphosphine Oxide. Does the Gutmann-Beckett Method Relate to Lewis Acid Strength?" Extracted and compiled data used for analysis in the manuscript are provided in .csv. Raw output files from the DFT calculations performed in ORCA+NBO, CASTEP and ReSpect software packages are attached in the .zip archive.