Trying to contribute to an overall picture of solvation in ionic liquids, we report a review of the main recent results in the field of molecular dynamics simulations of structural and dynamic properties of mixtures of ionic liquids with molecular cosolvents or salts. The majority of reported results indicate that solvation of neutral molecules and salt ions takes place selectively in the bulk nanoregions of the dense ionic solvents, fitting the parts of the solute's moieties to the similar regions of the dense ionic solvent, in what has been called nanostructured solvations
Some examples of the use of molecular dynamics simulation to study solutions of small molecules in i...
International audienceThe aim of this study is to improve our understanding of the microscopic and m...
International audienceMolecular dynamics simulations in the isobaric-isothermal ensemble are used to...
Equilibrium and nonequilibrium molecular dynamics simulations of solvation and solvation dynamics of...
The structure of solutions of lithium nitrate in a protic ionic liquid with a common anion, ethylamm...
We have performed molecular dynamics (MD) simulations to explore the structure and dynamics of the i...
The nanostructure in water solutions of three organic ionic liquids relevant for biological applicat...
In this work, we use molecular dynamics simulation to explore the physical principles governing the ...
Binding energies of ion triplets formed in ionic liquids by Li+ with two anions have been studied us...
Room temperature ionic liquids contain molecular ions which are, in general, monovalent. In the pres...
The solvation and the dynamic properties of apolar model solutes in alkyl imidazolium-based ionic li...
Solvation free energies of methylated nucleobases were calculated in pure and hydrated 1-ethyl-3-met...
The structural and dynamical properties of bulk mixtures of long-chained primary and secondary alcoh...
The structure and interactions of different (Li salt + glyme) mixtures, namely equimolar mixtures of...
International audienceIonic liquids—which are special solvents composed entirely of ions—are difficu...
Some examples of the use of molecular dynamics simulation to study solutions of small molecules in i...
International audienceThe aim of this study is to improve our understanding of the microscopic and m...
International audienceMolecular dynamics simulations in the isobaric-isothermal ensemble are used to...
Equilibrium and nonequilibrium molecular dynamics simulations of solvation and solvation dynamics of...
The structure of solutions of lithium nitrate in a protic ionic liquid with a common anion, ethylamm...
We have performed molecular dynamics (MD) simulations to explore the structure and dynamics of the i...
The nanostructure in water solutions of three organic ionic liquids relevant for biological applicat...
In this work, we use molecular dynamics simulation to explore the physical principles governing the ...
Binding energies of ion triplets formed in ionic liquids by Li+ with two anions have been studied us...
Room temperature ionic liquids contain molecular ions which are, in general, monovalent. In the pres...
The solvation and the dynamic properties of apolar model solutes in alkyl imidazolium-based ionic li...
Solvation free energies of methylated nucleobases were calculated in pure and hydrated 1-ethyl-3-met...
The structural and dynamical properties of bulk mixtures of long-chained primary and secondary alcoh...
The structure and interactions of different (Li salt + glyme) mixtures, namely equimolar mixtures of...
International audienceIonic liquids—which are special solvents composed entirely of ions—are difficu...
Some examples of the use of molecular dynamics simulation to study solutions of small molecules in i...
International audienceThe aim of this study is to improve our understanding of the microscopic and m...
International audienceMolecular dynamics simulations in the isobaric-isothermal ensemble are used to...