An approach for the rationalization of melting temperature for deep eutectic solvents from DFT

- DFT and QTAIM are used to analyze intermolecular forces in deep eutectic solvents.
- Molecular level features were studied for deep eutectic solvents melting points.
- The electronic density of cage critical points is used for describing melting points.
- Melting points are mainly due to the charge delocalization process.