Research output per year
Research output per year
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 available | 1 Dec 2016 |
|---|---|
| Publisher | University of Strathclyde |
| Temporal coverage | 1 Oct 2015 - 30 Nov 2016 |
Research output
- 1 Article
-
A transferable model for adsorption in MOFs with unsaturated metal sites
Campbell, C., Ferreiro-Rangel, C. A., Fischer, M., Gomes, J. R. B. & Jorge, M., 12 Jan 2017, In: Journal of Physical Chemistry C. 121, 1, p. 441−458 18 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile26 Citations (Scopus)202 Downloads (Pure)
Projects
- 1 Finished
-
Doctoral Training Partnership (DTA - University of Strathclyde) | Campbell, Christopher
Jorge, M., Fletcher, A. & Campbell, C.
EPSRC (Engineering and Physical Sciences Research Council)
1/10/14 → 8/05/18
Project: Research Studentship - Internally Allocated
Datasets
-
A Transferable Model for Adsorption in MOFs with Unsaturated Metal Sites- GCMC
Campbell, C. (Creator) & Jorge, M. (Supervisor), University of Strathclyde, 1 Dec 2016
DOI: 10.15129/8e3b13eb-7625-4eaa-a658-1f6be4e2478a, http://www.iec.northwestern.edu/software.php
Dataset