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Influence of Lennard–Jones Parameters in the Temperature Dependence of Real Gases Diffusion through Nanochannels
Umbrella Sampling Molecular Dynamics has been used to determine transition energies for different guest molecules through hydroquinone [Formula: see text]-clathrate nanochannels, as well as their temperature trend. This clathrate has been shown to successfully enclathrate different types of small ga...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180561/ https://www.ncbi.nlm.nih.gov/pubmed/37177079 http://dx.doi.org/10.3390/nano13091534 |