Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions
| dc.contributor.author | Sillar, Kaido | |
| dc.contributor.author | Koppel, Ivar | |
| dc.date.accessioned | 2023-05-16T16:12:27Z | |
| dc.date.available | 2023-05-16T16:12:27Z | |
| dc.date.issued | 2023-05-16 | |
| dc.identifier.uri | https://datadoi.ee/handle/33/540 | |
| dc.identifier.uri | http://dx.doi.org/10.23673/re-406 | |
| dc.description.abstract | Structure files used in "Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions" | en |
| dc.format | CIF | en |
| dc.format | XYZ | |
| dc.publisher | University of Tartu, Institute of Chemistry, Ravila 14a, 50411 Tartu, Estonia | en |
| dc.relation | https://doi.org/10.1021/jacs.6b08646 | |
| dc.rights | info:eu-repo/semantics/openAccess | en |
| dc.rights | Attribution-NonCommercial 4.0 International | * |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc/4.0/ | * |
| dc.subject | MOFs | en |
| dc.subject | ab initio calculations | |
| dc.subject | adsorption | |
| dc.title | Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions | en |
| dc.type | Other | en |
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