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Chilling alcohol on the computer: isothermal compressibility and the formation of hydrogen-bond clusters in liquid propan-1-ol
ABSTRACT: Molecular dynamics simulations have been performed to compute the isothermal compressibility [Formula: see text] of liquid propan-1-ol in the temperature range [Formula: see text] K. A change in behaviour, from normal (high T) to anomalous (low T), has been identified for [Formula: see tex...
Autores principales: | Baptista, Luis A., Sevilla, Mauricio, Wagner, Manfred, Kremer, Kurt, Cortes-Huerto, Robinson |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer Berlin Heidelberg
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10687148/ https://www.ncbi.nlm.nih.gov/pubmed/38019330 http://dx.doi.org/10.1140/epje/s10189-023-00380-w |
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