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• W2162235098 endingPage "122" @default.
• W2162235098 startingPage "101" @default.
• W2162235098 abstract "The conductor-like screening model for realistic solvation (COSMO-RS) method has been established as a novel way to predict thermophysical data for liquid systems and has become a frequently used alternative to force field-based molecular simulation methods on one side and group contribution methods on the other. Through its unique combination of a quantum chemical treatment of solutes and solvents with an efficient statistical thermodynamics procedure for the molecular surface interactions, it enables the efficient calculation of many properties that other methods can barely predict. This review presents a short delineation of the theory, the application potential and limitations of COSMO-RS, and its most important application areas." @default.
• W2162235098 created "2016-06-24" @default.
• W2162235098 creator A5002298087 @default.
• W2162235098 creator A5019623645 @default.
• W2162235098 creator A5071201468 @default.
• W2162235098 date "2010-06-15" @default.
• W2162235098 modified "2023-10-10" @default.
• W2162235098 title "COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures" @default.
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• W2162235098 doi "https://doi.org/10.1146/annurev-chembioeng-073009-100903" @default.
• W2162235098 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22432575" @default.
• W2162235098 hasPublicationYear "2010" @default.
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