A theoretical study was employed to investigate the interaction energy between the five amino acids based anions ([AA] -) (AA=Gly, Ala, Val, Leu, ILe) and N7,N9-dimethyladeninium cation ([dMA]+). The stable geometries of ...

Thermal stability of the ionic liquids is of great importance for their industrial applications. In

this work density functional theory calculations have been used to evaluate thermal decomposition

mechanisms ...

Hydrogen sulfide (H2S) and carbon dioxide (CO2) adsorption on a series of the aliphatic amino acid ionic liquids (AAILs) composed of N7,N9- dimethyladeninium cation with amino acid anions (AA= Gly, Ala, Val, Leu and Ile) ...

In this work, the quantum chemistry study on [MA]+[Gly]- were performed. It was found that the interactions are mainly characterized by intermolecular H bonds. Configuration (a) was predicted to be the most stable.

A computational study on the new generation of the ionic liquids based on the amino acids has been performed using the quantum chemistry concepts such as natural bond orbital and atom in molecule analysis. Especially, ...

A series of aliphatic amino acid ionic liquids (AAILs) composed of

N7,N9-dimethyladeninium cation with amino acid anion as the functionalized

ILs with dual groups of amine have been designed for CO2 capture. ...

In this paper, we summarized new and promising developments in CO2 capture media,

focusing on the novel amine-based ionic liquid. [dMA][Gly] as an IL with dual groups of

amine in anion and cation was designed. ...