Published April 11, 2025
| Version v1
Dataset
Open
High-Throughput Transition-State Searches in Zeolite Nanopores; Dataset of Converged Structures
Contributors
Hosting institution (3):
-
1.
Massachusetts Institute of Technology
Description
Set of .cif files for the DFT minimma and TS converged structures referred on the paper.
Files
Files
(7.6 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:ccfba43f5173100559bc93c69be6a288
|
7.6 MB | Download |