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Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields

[Image: see text] The search for nanoporous materials that are highly performing for gas storage and separation is one of the contemporary challenges in material design. The computational tools to aid these experimental efforts are widely available, and adsorption isotherms are routinely computed fo...

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Bibliografiske detaljer
Udgivet i:J Phys Chem C Nanomater Interfaces
Main Authors: Vandenbrande, Steven, Verstraelen, Toon, Gutiérrez-Sevillano, Juan José, Waroquier, Michel, Van Speybroeck, Veronique
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2017
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5694967/
https://ncbi.nlm.nih.gov/pubmed/29170687
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.7b08971
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