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Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites
Flexible metal-organic frameworks (MOFs) can undergo structural transitions with significant pore volume changes upon guest adsorption or other external triggers while maintaining their porosity. In computational studies of this breathing behavior, molecular dynamics (MD) simulations within periodic...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10613269/ https://www.ncbi.nlm.nih.gov/pubmed/37898644 http://dx.doi.org/10.1038/s42004-023-01025-x |