TY  - JOUR 
AU  - García Moreno, Gregorio J.
AU  - Atilhan, Mert .
AU  - Aparicio Martínez, Santiago
PY  - 2015
UR  - http://hdl.handle.net/10259/4331
AB  - A systematic density functional theory (DFT) analysis has been carried out to obtain information at the molecular level on the key parameters related to efficient SO2 capture by ionic liquids (ILs). A set of 55 ILs, for which high gas solubility is...
LA  - eng
PB  - Royal Society of Chemistry
KW  - Chemistry, Physical and theoretical
KW  - Química física
TI  - A density functional theory insight towards the rational design of ionic liquids for SO2 capture
ER  -