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Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents ()
Vast numbers of unstudied hypothetical porous frameworks continue to spark interest in optimizing adsorption and catalytic processes. Evaluating the use of such materials depends on the accessibility of thermodynamic metrics such as the free energy, which, in turn, depend on the satisfactory estimat...
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| Vydáno v: | J Phys Chem C Nanomater Interfaces |
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| Hlavní autoři: | , , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2020
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7905991/ https://ncbi.nlm.nih.gov/pubmed/33643514 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.0c02671 |
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