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On flexible force fields for metal–organic frameworks: Recent developments and future prospects
Classical force field simulations can be used to study structural, diffusion, and adsorption properties of metal–organic frameworks (MOFs). To account for the dynamic behavior of the material, parameterization schemes have been developed to derive force constants and the associated reference values...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Wiley Periodicals, Inc.
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6032946/ https://www.ncbi.nlm.nih.gov/pubmed/30008812 http://dx.doi.org/10.1002/wcms.1363 |