Motivated by our recent proposition on the possibility of using dielectric continuum models to interpret experimental measurements of solvation dynamics in room temperature ionic liquids [J. Phys. Chem. A110, 8623 (2006)], some detailed simulation studies are performed to test the validity of our proposition. From these simulation studies, it seems to be justified that an extended Debye–Hückel continuum model can be used to understand the solvation dynamics of ionic fluids. The theoretical underpinning of such an extended Debye–Hückel model is presented from the general dispersion relation in electrodynamics. The connection with the static extension from the dressed ion theory of electrolyte solutions is also discussed. Such a connection be...
Continuum solvation models are nowadays widely used in the modeling of solvent effects and the range...
[[abstract]]The charging free energy of a model diatomic molecule is studied with free energy simula...
We analyze, using Monte Carlo simulations, how a dielectric medium, modeled as a Stockmayer fluid, m...
An analysis is provided of the subnanosecond dynamic solvation of ionic liquids in particular and io...
An analysis is provided of the subnanosecond dynamic solvation of ionic liquids in particular and io...
It was shown recently that a simple dielectric continuum model predicts the integral solvation time ...
In this report, a molecular Debye-Hückel theory for ionic fluids is developed. Starting from the mac...
The influence of an inhomogeneous dielectric response on the dynamics of solvation of ions and dipol...
An analysis is provided of the subnanosecond dynamic solvation of ionic liquids in particular and io...
We present a simple model to deal with long range electrostatic interactions in computer simulations...
Dielectric and solvation data on mixtures of 1-butyl-3-methylimidazilium tetrafluoroborate ([Im<sub>...
Dielectric and solvation data on mixtures of 1-butyl-3-methylimidazilium tetrafluoroborate ([Im41][B...
A local continuum solvation theory, exactly treating electrostatic matching conditions on the bounda...
A local continuum solvation theory, exactly treating electrostatic matching conditions on the bounda...
Continuum solvent models of electrolyte solutions are extremely useful. However, before we can use t...
Continuum solvation models are nowadays widely used in the modeling of solvent effects and the range...
[[abstract]]The charging free energy of a model diatomic molecule is studied with free energy simula...
We analyze, using Monte Carlo simulations, how a dielectric medium, modeled as a Stockmayer fluid, m...
An analysis is provided of the subnanosecond dynamic solvation of ionic liquids in particular and io...
An analysis is provided of the subnanosecond dynamic solvation of ionic liquids in particular and io...
It was shown recently that a simple dielectric continuum model predicts the integral solvation time ...
In this report, a molecular Debye-Hückel theory for ionic fluids is developed. Starting from the mac...
The influence of an inhomogeneous dielectric response on the dynamics of solvation of ions and dipol...
An analysis is provided of the subnanosecond dynamic solvation of ionic liquids in particular and io...
We present a simple model to deal with long range electrostatic interactions in computer simulations...
Dielectric and solvation data on mixtures of 1-butyl-3-methylimidazilium tetrafluoroborate ([Im<sub>...
Dielectric and solvation data on mixtures of 1-butyl-3-methylimidazilium tetrafluoroborate ([Im41][B...
A local continuum solvation theory, exactly treating electrostatic matching conditions on the bounda...
A local continuum solvation theory, exactly treating electrostatic matching conditions on the bounda...
Continuum solvent models of electrolyte solutions are extremely useful. However, before we can use t...
Continuum solvation models are nowadays widely used in the modeling of solvent effects and the range...
[[abstract]]The charging free energy of a model diatomic molecule is studied with free energy simula...
We analyze, using Monte Carlo simulations, how a dielectric medium, modeled as a Stockmayer fluid, m...