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Rapid adsorption enthalpy surface sampling (RAESS) to characterize nanoporous materials

Molecular adsorption in nanoporous materials has many large-scale industrial applications ranging from separation to storage. To design the best materials, computational simulations are key to guiding the experimentation and engineering processes. Because nanoporous materials exist in a plethora of...

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Detalles Bibliográficos
Autores principales: Ren, Emmanuel, Coudert, François-Xavier
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9931060/
https://www.ncbi.nlm.nih.gov/pubmed/36819873
http://dx.doi.org/10.1039/d2sc05810c