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Density Scaling Based Detection of Thermodynamic Regions of Complex Intermolecular Interactions Characterizing Supramolecular Structures
In this paper, applying the density scaling idea to an associated liquid 4-methyl-2-pentanol used as an example, we identify different pressure-volume-temperature ranges within which molecular dynamics is dominated by either complex H-bonded networks most probably leading to supramolecular structure...
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| Udgivet i: | Sci Rep |
|---|---|
| Main Authors: | , , , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Nature Publishing Group UK
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7283260/ https://ncbi.nlm.nih.gov/pubmed/32518282 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-66244-x |
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