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Theoretical Description of Mixed Film Formation at the Air/Water Interface: Carboxylic Acids–Alcohols

[Image: see text] The thermodynamic parameters of formation and clusterization of aliphatic alcohols C(n)H(2n+1)OH and carboxylic acids C(n)H(2n+1)COOH (n = 6–16) are calculated using the quantum-chemical semiempirical PM3 method. Four types of dimers are constructed in two directions of the spread...

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Detalles Bibliográficos
Autores principales:	Kartashynska, Elena S., Vysotsky, Yuri B., Vollhardt, Dieter, Fainerman, Valentin B., Zakharov, Anatoly Yu.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644141/ https://www.ncbi.nlm.nih.gov/pubmed/31458299 http://dx.doi.org/10.1021/acsomega.8b02583

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