Ab Initio Molecular Dynamics Study of Phospho-Amino Acid-Based Ionic Liquids: Formation of Zwitterionic Anions in the Presence of Acidic Side Chains

[Image: see text] We present a computational analysis of the complex proton-transfer processes in two protic ionic liquids based on phosphorylated amino acid anions. The structure and the short time dynamics have been analyzed via ab initio and semi-empirical molecular dynamics. Given the presence o...

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Detalles Bibliográficos
Autores principales: Adenusi, Henry, Le Donne, Andrea, Porcelli, Francesco, Bodo, Enrico
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7997564/
https://www.ncbi.nlm.nih.gov/pubmed/32037824
http://dx.doi.org/10.1021/acs.jpcb.9b09703

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7997564/
https://www.ncbi.nlm.nih.gov/pubmed/32037824
http://dx.doi.org/10.1021/acs.jpcb.9b09703

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