Published May 7, 2022
| Version v1
Dataset
Open
Data-MC/MD/BOMD-ZIF8
Authors/Creators
- 1. University of São Paulo
- 2. Universidade de São Paulo
Description
Input files, topologies, atomic parameters and initial coordinates for Monte Carlo (MC), Molecular Dynamics (MD), Born-Oppenheimer Molecular Dynamics (BOMD) of ZIF-8 accounting for different chemical composition of the nanoparticle surface and unit cells.
Files
Data-MC:MD:BOMD-ZIF8.zip
Files
(7.1 MB)
| Name | Size | Download all |
|---|---|---|
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md5:05f83462a70d5213591e9bd9fd28a950
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7.1 MB | Preview Download |