Ab initio studies were carried out with mixtures containing ionic liquid with thiophene and
pyridine for studying the simultaneous interaction. Global scalar properties such as …

The simultaneous interaction of thiophene and pyridine with different ionic liquids: 1‐butyl‐1‐
methylpyrrolidinium tetrafluoroborate ([BPYRO][BF4]), 1‐butyl‐1‐methylpyrrolidinium …

Ab initio method was applied to investigate the interaction between six heterocyclic nitrogen
compounds with 18 ionic liquids. Important quantum chemical descriptors like orbital energy …

The excess chemical potential of thiophene in imidazolium-based ionic liquids
[C4mim][BF4],[C4mim][Cl],[C4mim][Br], and [C4mim][CH3COO] were determined by means …

In this work, we evaluated the energetic interactions between imidazolium ionic liquids (ILs)
and hydrofluoric acid, as well as the cation–anion interactions in ILs. We used DFT …

The physicochemical properties namely: densities (ρ), sound velocities (u), viscosities (η),
and refractive indices (nD) of a series of alkyl imidazolium-based ionic liquids (ILs) with …

Density functional calculations have been performed to investigate the interactions of two
neutral ionic liquids of 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM]+[PF6]−) …

A deeper comprehension of the mechanism behind various internal interactions and their
influence on system properties encourages the utilization of ionic liquid mixture systems. In …

Ionic liquids (ILs) gained a lot of attention, from both academe and industry, as alternative
liquids for different types of applications. Chemical and physical characteristics can be …

Recently, ionic liquid mixtures have been widely studied and successfully applied in many
fields. However, the basic knowledge of their molecular interactions is not yet fully …