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 available||1 Dec 2016|
|Publisher||University of Strathclyde|
|Temporal coverage||1 Oct 2015 - 30 Nov 2016|
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