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MoDoop: An Automated Computational Approach for COSMO-RS Prediction of Biopolymer Solubilities in Ionic Liquids

[Image: see text] An automated computational framework (MoDoop) was developed to predict the biopolymer solubilities in ionic liquids (ILs) on the basis of conductor-like screening model for real solvents calculations of two thermodynamic properties: logarithmic activity coefficient (ln γ) at infini...

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Detalles Bibliográficos
Autores principales: Chu, Yunhan, He, Xuezhong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648271/
https://www.ncbi.nlm.nih.gov/pubmed/31459475
http://dx.doi.org/10.1021/acsomega.8b03255