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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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Bibliografiske detaljer
Udgivet i:Sci Rep
Main Authors: Pawlus, Sebastian, Grzybowski, Andrzej, Kołodziej, Sławomir, Wikarek, Michał, Dzida, Marzena, Góralski, Paweł, Bair, Scott, Paluch, Marian
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group UK 2020
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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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