3986569
doi
10.5281/zenodo.3986569
oai:zenodo.org:3986569
Jefferey S. Camp
Georgia Institute of Technology
Yongchul G. Chung
Pusan National University
Randall Q. Snurr
Northwestern University
David S. Sholl
Georgia Institute of Technology
DFT-optimized Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2014
Dalar Nazarian
Georgia Institute of Technology
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
metal-organic frameworks
<p>There are two folders inside the zipped file:</p>
<p>- 838 structures (without DDEC partial atomic charges)</p>
<p>- 502 structures (with DDEC partial atomic charges)<br>
</p>
<p> </p>
If using the dataset, please cite: 10.1021/acs.chemmater.6b04226
Zenodo
2016-11-15
info:eu-repo/semantics/other
3986568
1.0
1597496363.486497
4372327
md5:a35f2f80b910fc12ffa238b8977cdc43
https://zenodo.org/records/3986569/files/CoRE-MOF-1.0-DFT-minimized.tar.gz
public
10.5281/zenodo.3986568
isVersionOf
doi