A Transferable Model for Adsorption in MOFs with Unsaturated Metal Sites- DFT

Dataset

Description

This dataset contains Density Functional Theory (DFT) calculations used in the related publication. The software used was CP2K, this dataset contains calculations for several Metal Organic Frameworks (MOFs). For further information on what this dataset contains see attached read_me file.
Date made available1 Dec 2016
PublisherUniversity of Strathclyde
Temporal coverage1 Oct 2015 - 30 Nov 2016

Cite this

Campbell, C. (Creator), Jorge, M. (Supervisor). (1 Dec 2016). A Transferable Model for Adsorption in MOFs with Unsaturated Metal Sites- DFT. University of Strathclyde. DFT(.zip), READ_ME_DFT(.txt). 10.15129/16b6418d-d728-4636-bb28-9d1d0fe42e63