The carbonylation of alcohols represents a straightforward and atom-efficient methodology for the preparation of carboxylic acids. It is desirable to perform these reactions under precious metal-free
Input and output files for the results presented in Tables 1-5 of the paper 'Exploiting Sparsity in Free Energy Basin-Hopping'. Further information on these files can be found in the README files with
Numerical data and plotting scripts for regenerating figures in the article "Geometric direct minimization for low-spin restricted open-shell Hartree–Fock". See README for more details.
