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Modelling of framework materials at multiple scales: current practices and open questions

The last decade has seen an explosion of the family of framework materials and their study, from both the experimental and computational points of view. We propose here a short highlight of the current state of methodologies for modelling framework materials at multiple scales, putting together a br...

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Detalhes bibliográficos
Publicado no:Philos Trans A Math Phys Eng Sci
Main Authors: Fraux, Guillaume, Chibani, Siwar, Coudert, François-Xavier
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society Publishing 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6562347/
https://ncbi.nlm.nih.gov/pubmed/31130101
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2018.0220
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