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CRAFTED: An exploratory database of simulated adsorption isotherms of metal-organic frameworks
Grand Canonical Monte Carlo is an important method for performing molecular-level simulations and assisting the study and development of nanoporous materials for gas capture applications. These simulations are based on the use of force fields and partial charges to model the interaction between the...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10119274/ https://www.ncbi.nlm.nih.gov/pubmed/37081024 http://dx.doi.org/10.1038/s41597-023-02116-z |