Dataset for "An air-stable Cu(I) metal-organic framework for hydrogen storage" Raw data set of the electronic structure calculations and inputs for the GCMC calculations relating to above publication.
Melix, P. (Contributor), Joodaki, F. (Contributor), Snurr, R. Q. (Contributor) (Dec 9 2022). Dataset for "An air-stable Cu(I) metal-organic framework for hydrogen storage". ZENODO. 10.5281/zenodo.7419285