Now showing items 1-5 of 5

• #### The importance of polarizability: comparison of models of carbon disulphide in the ionic liquids [C$_1$C$_1$im][NTf$_2$] and [C$_4$C$_1$im][NTf$_2$] ﻿

(2016-06-01)
• #### A model with charges and polarizability for CS<inf>2</inf>in an ionic liquid ﻿

(2017-07-01)
© 2017, Indian Academy of Sciences. The environment of a solute molecule in an ionic liquid is likely to have large fluctuating electrostatic fields, and so the electrostatic properties of such a solute including its charge ...
• #### Molecular dynamics simulation of behavior of water in nano-confined ionic liquid-water mixtures ﻿

(2016)
This work describes the behaviour of water molecules in 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid under nanoconfinement, between graphene sheets. By means of molecular dynamics simulations, the adsorption ...
• #### An OHD-RIKES and simulation study comparing a benzylmethylimidazolium ionic liquid with an equimolar mixture of dimethylimidazolium and benzene ﻿

(2015-03-05)
• #### Simulations of ionic liquids near charged walls ﻿

(2011-09-09)