Multiscale molecular dynamics combined with quantum energy decomposition shows that cooperative hydrogen bonding, dispersion, and polarization drive selective extraction of bisphenol A into TOPO:menthol hydrophobic eutectic solvents.
Uv-resonance Raman spectra of systems in complex environments: A multiscale modeling applied to doxorubicin intercalated into dna.J
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Unveiling the Molecular Driving Forces of Pollutant Extraction by Hydrophobic Eutectic Solvents
Multiscale molecular dynamics combined with quantum energy decomposition shows that cooperative hydrogen bonding, dispersion, and polarization drive selective extraction of bisphenol A into TOPO:menthol hydrophobic eutectic solvents.