TY  - JOUR 
AU  - Rozas Azcona, Sara
AU  - Atilhan, Mert
AU  - Aparicio Martínez, Santiago
PY  - 2022
SN  - 0021-9606
UR  - http://hdl.handle.net/10259/9499
AB  - The effect of water on the properties of an archetypical type III deep eutectic solvent [choline chloride : ethyleneglycol (1:2)] is analyzed using ab initio molecular dynamics simulations in the 0 to 60 wt. % water content range. The properties of...
LA  - eng
PB  - AIP Publishing
KW  - Química física
KW  - Chemistry, Physical and theoretical
TI  - A density functional theory based tight-binding study on the water effect on nanostructuring of choline chloride + ethylene glycol deep eutectic solvent
DO  - 10.1063/5.0091665
T2  - The Journal of Chemical Physics
VL  - 156
ER  -