Our OPLS-2009IL force field parameters (J. Chem. Theory Comput. 2009, 5, 1038–1050)
were originally developed and tested on 68 unique ionic liquids featuring the 1-alkyl-3 …

Clusters of two ion pairs of imidazolium-based ionic liquids were optimized with 43 different
levels of theory, including DFT functionals and MP2-based methods combined with varying …

Ionic conductive elastomers with high sensitivity, good mechanical property, shape memory
and antioxidant capacity are of great significance in flexible smart wearable devices, but …

The effect of the anion size and electronegativity of halide-based anions (Cl–, Br–, I–, and
BF4–) on the interionic interaction in 1-ethyl-3-methylimidazolium-based ionic liquids (ILs) …

The influence of the length of the alkyl chain and water molecules on the hydrogen-bond
interaction of the chloride anion and imidazolium-based cation of the ionic liquid (IL) Cnmim …

Designing stimuli-responsive therapeutic scaffolds to deliver hydrophobic chemo drugs with
controlled and sustained release at the tumor site would be promising in cancer treatment. In …

Experimental attenuated total reflectance (ATR) and Raman spectra for the synthesized
ionic liquid 1-Ethyl-3-methylimidazolium hexafluorophosphate [EMIM+][PF 6−] have been …

1, 3-Dialkylimidazolium ionic liquid coatings act as electron donors, increasing the selectivity
for partial hydrogenation of 1, 3-butadiene catalyzed by iridium complexes supported on …

Hydrogen energy has received significant attention in the renewable energy sector due to its
high energy density and environmentally friendly nature. For the efficient hydrogen …

In this work, we propose a Water-in-salt electrolyte based on concentrated ionic additive for
Al-air batteries, aiming at inhibiting the unexpected severe hydrogen evolution self …