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Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks

[Image: see text] A self-consistent scheme is presented that is applicable for revealing details of the microscopic structure of hydrogen-bonded liquids, including the description of the hydrogen-bonded network. The scheme starts with diffraction measurements, followed by molecular dynamics simulati...

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Detalles Bibliográficos
Autores principales: Bakó, Imre, Pothoczki, Szilvia, Pusztai, László
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10108367/
https://www.ncbi.nlm.nih.gov/pubmed/36995795
http://dx.doi.org/10.1021/acs.jpcb.2c07740