2022
DOI: 10.1016/j.fluid.2022.113540
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A comparative study of COSMO-based and equation-of-state approaches for the prediction of solvation energies based on the compsol databank

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Cited by 3 publications
(2 citation statements)
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“…COSMO-RS has been widely used for predicting the properties of a wide variety of substances like organics, polymers, ionic liquids, etc. [11][12][13][14][15][16][17] ; especially, it has been used as a screening tool to suggest suitable substances for different purposes and various applications. [18][19][20][21][22][23] Similar to all other Abbreviations: AARD, average absolute relative deviation; AI, artificial intelligence; ARD, absolute relative deviation; COSMO, conductor-like screening model; COSMO-RS, conductor-like screening model for realistic solvents; GCM, group contribution method; PC-SAFT, perturbed-chain statistical associating fluid theory; SAFT, statistical associating fluid theory.…”
Section: Introductionmentioning
confidence: 99%
See 1 more Smart Citation
“…COSMO-RS has been widely used for predicting the properties of a wide variety of substances like organics, polymers, ionic liquids, etc. [11][12][13][14][15][16][17] ; especially, it has been used as a screening tool to suggest suitable substances for different purposes and various applications. [18][19][20][21][22][23] Similar to all other Abbreviations: AARD, average absolute relative deviation; AI, artificial intelligence; ARD, absolute relative deviation; COSMO, conductor-like screening model; COSMO-RS, conductor-like screening model for realistic solvents; GCM, group contribution method; PC-SAFT, perturbed-chain statistical associating fluid theory; SAFT, statistical associating fluid theory.…”
Section: Introductionmentioning
confidence: 99%
“…COSMO‐RS is based on quantum chemical calculations and statistical thermodynamics, 6–10 and it only needs the structure of the substance as the input. COSMO‐RS has been widely used for predicting the properties of a wide variety of substances like organics, polymers, ionic liquids, etc 11–17 18–23 .…”
Section: Introductionmentioning
confidence: 99%