Molecular Fingerprints of Hydrophobicity at Aqueous Interfaces from Theory and Vibrational Spectroscopies

[Image: see text] Hydrophobicity/hydrophilicity of aqueous interfaces at the molecular level results from a subtle balance in the water–water and water–surface interactions. This is characterized here via density functional theory–molecular dynamics (DFT-MD) coupled with vibrational sum frequency ge...

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Detalles Bibliográficos
Autores principales: Pezzotti, Simone, Serva, Alessandra, Sebastiani, Federico, Brigiano, Flavio Siro, Galimberti, Daria Ruth, Potier, Louis, Alfarano, Serena, Schwaab, Gerhard, Havenith, Martina, Gaigeot, Marie-Pierre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9004482/
https://www.ncbi.nlm.nih.gov/pubmed/33852317
http://dx.doi.org/10.1021/acs.jpclett.1c00257

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9004482/
https://www.ncbi.nlm.nih.gov/pubmed/33852317
http://dx.doi.org/10.1021/acs.jpclett.1c00257

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