Cargando…
Effects of Force Field Selection on the Computational Ranking of MOFs for CO(2) Separations
[Image: see text] Metal–organic frameworks (MOFs) have been considered as highly promising materials for adsorption-based CO(2) separations. The number of synthesized MOFs has been increasing very rapidly. High-throughput molecular simulations are very useful to screen large numbers of MOFs in order...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2018
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5828708/ https://www.ncbi.nlm.nih.gov/pubmed/29503503 http://dx.doi.org/10.1021/acs.iecr.7b04792 |