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Open AccessAuthor Correction: Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents
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Open AccessEvolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents
Deep eutectic solvents (DESs) are an emerging class of non-aqueous solvents that are potentially scalable, easy to prepare and functionalize for many applications ranging from biomass processing to energy stor...
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Reference Work Entry In depth
Molecular Modeling of the Thermodynamic and Transport Properties of Ionic Liquid-Water Mixtures
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Living Reference Work Entry In depth
Molecular Modeling of the Thermodynamic and Transport Properties of Ionic Liquid-Water Mixtures
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Prediction of membrane separation efficiency for hydrophobic and hydrophilic proteins
A coarse-grained Brownian dynamics model was used to simulate two proteins of similar sizes inside model membrane pores of varying size and hydrophobicity. The two proteins, which have radii of gyration of app...
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Development of an AMBER-compatible transferable force field for poly(ethylene glycol) ethers (glymes)
An all-atom force field consistent with the general AMBER force field (GAFF) format for poly(ethylene glycol) dimethyl ether (diglyme or G2) was developed by fitting to experimental liquid densities and dielec...
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Article
Open AccessMolecular mechanisms of ionic liquid cytotoxicity probed by an integrated experimental and computational approach
Ionic liquids (ILs) are salts that remain liquid down to low temperatures and sometimes well below room temperature. ILs have been called “green solvents” because of their extraordinarily low vapor pressure an...
