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A collection of forcefield precursors for metal–organic frameworks
A host of important performance properties for metal–organic frameworks (MOFs) and other complex materials can be calculated by modeling statistical ensembles. The principle challenge is to develop accurate and computationally efficient interaction models for these simulations. Two major approaches...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9075174/ https://www.ncbi.nlm.nih.gov/pubmed/35539031 http://dx.doi.org/10.1039/c9ra07327b |