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2-Butanol Aqueous Solutions: A Combined Molecular Dynamics and Small/Wide-Angle X-ray Scattering Study

[Image: see text] Structural properties of 2-butanol aqueous solutions at different concentrations have been studied using small- and wide-angle X-ray scattering and molecular dynamics simulations. The experimental structure factors have been accurately reproduced by the simulations, allowing one to...

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Detalles Bibliográficos
Autores principales: Macchiagodena, Marina, Bassu, Gavino, Vettori, Irene, Fratini, Emiliano, Procacci, Piero, Pagliai, Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9720721/
https://www.ncbi.nlm.nih.gov/pubmed/36394997
http://dx.doi.org/10.1021/acs.jpca.2c05708