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Solubility model of metal complex in ionic liquids from first principle calculations

A predictive model based on first principles calculations has been proposed to study the solid–liquid equilibria comprising of metal complexes and ionic liquids. The model is based on first principle COSMO calculation followed by post statistical thermodynamical treatment of self-consistent properti...

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Detalles Bibliográficos
Autores principales: Karmakar, Anwesa, Mukundan, Rangachary, Yang, Ping, Batista, Enrique R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064736/
https://www.ncbi.nlm.nih.gov/pubmed/35515257
http://dx.doi.org/10.1039/c9ra04042k