Use of the PIXEL method to investigate gas adsorption in metal–organic frameworks

PIXEL has been used to perform calculations of adsorbate-adsorbent interaction energies between a range of metal–organic frameworks (MOFs) and simple guest molecules. Interactions have been calculated for adsorption between MOF-5 and Ar, H(2), and N(2); Zn(2)(BDC)(2)(TED) (BDC = 1,4-benzenedicarboxy...

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Detalles Bibliográficos
Autores principales: Maloney, Andrew G. P., Wood, Peter A., Parsons, Simon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2016
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5361143/
https://www.ncbi.nlm.nih.gov/pubmed/28496380
http://dx.doi.org/10.1039/c6ce00555a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5361143/
https://www.ncbi.nlm.nih.gov/pubmed/28496380
http://dx.doi.org/10.1039/c6ce00555a

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