Investigation of Potential Azeotrope Breakers Using DFT and COSMO Approach

[Image: see text] Different combinations of cations (imidazolium, pyridinium, pyrrolidinium, phosphonium, and ammonium) and anions (basic anions, sulfate, phosphate, and borate) were studied based on the COSMO volume and quantum chemical parameters such as highest occupied molecular orbital/lowest u...

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Detalles Bibliográficos
Autores principales: Ramalingam, Anantharaj, Gurunathan, Ramesh Kumar, Chanda Nagarajan, Pratheeba
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7366358/
https://www.ncbi.nlm.nih.gov/pubmed/32685858
http://dx.doi.org/10.1021/acsomega.0c02086

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7366358/
https://www.ncbi.nlm.nih.gov/pubmed/32685858
http://dx.doi.org/10.1021/acsomega.0c02086

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