Published November 15, 2016
| Version 1.0
Dataset
Open
DFT-optimized Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2014
- 1. Georgia Institute of Technology
- 2. Pusan National University
- 3. Northwestern University
Description
There are two folders inside the zipped file:
- 838 structures (without DDEC partial atomic charges)
- 502 structures (with DDEC partial atomic charges)
Notes
If using the dataset, please cite: 10.1021/acs.chemmater.6b04226
Files
Files
(4.4 MB)
| Name | Size | Download all |
|---|---|---|
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md5:a35f2f80b910fc12ffa238b8977cdc43
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4.4 MB | Download |