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CO2 uptake prediction of metal–organic frameworks using quasi-SMILES and Monte Carlo optimization
- Source :
- New Journal of Chemistry. 46:8827-8837
- Publication Year :
- 2022
- Publisher :
- Royal Society of Chemistry (RSC), 2022.
-
Abstract
- The first report of quasi-SMILES-based QSPR models for CO2 capture of MOFs based on experimental data.
- Subjects :
- Materials Chemistry
General Chemistry
Catalysis
Subjects
Details
- ISSN :
- 13699261 and 11440546
- Volume :
- 46
- Database :
- OpenAIRE
- Journal :
- New Journal of Chemistry
- Accession number :
- edsair.doi...........28e84e9834fff24678976ecae89622bb