From molten salts to room temperature ionic liquids: Simulation studies on chloroaluminate systems

A polarizable ion model for the structure of molten CuI

(2011) Vicente Bitrián et al.   JOURNAL OF CHEMICAL PHYSICS

Optical basicity scales in protic solvents: water, hydrogen fluoride, ammonia and their mixtures

(2011) Mathieu Salanne et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dislocation properties of coesite from anab-initioparametrized interatomic potential

(2011) L. Giacomazzi et al.   PHYSICAL REVIEW B

Small angle neutron scattering from 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids ([Cnmim][PF6], n=4, 6, and 8)

(2010) Christopher Hardacre et al.   JOURNAL OF CHEMICAL PHYSICS

Simulating polarizable molecular ionic liquids with Drude oscillators

(2010) Christian Schröder et al.   JOURNAL OF CHEMICAL PHYSICS

On the Structure of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models I

(2010) Tianying Yan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Dynamics of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models II

(2010) Tianying Yan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Influence of Polarization on Structural, Thermodynamic, and Dynamic Properties of Ionic Liquids Obtained from Molecular Dynamics Simulations

(2010) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?

(2010) Harsha V. R. Annapureddy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide

(2010) Miriam Kohagen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Internal mobilities and diffusion in an ionic liquid mixture

(2010) Céline Merlet et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Calculations of the thermal conductivities of ionic materials by simulation with polarizable interaction potentials

(2009) Norikazu Ohtori et al.   JOURNAL OF CHEMICAL PHYSICS

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulations of Ionic Liquids: Cation and Anion Dependence of Self-Diffusion Coefficients of Ions

(2009) Seiji Tsuzuki et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Are There Stable Ion-Pairs in Room-Temperature Ionic Liquids? Molecular Dynamics Simulations of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate

(2009) Wei Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The construction of a reliable potential for GeO2 from first principles

(2009) D. Marrocchelli et al.   MOLECULAR PHYSICS

Viscosity of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid from equilibrium and nonequilibrium molecular dynamics

(2009) Nguyen-Thi Van-Oanh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Strong, Localized, and Directional Hydrogen Bonds Fluidize Ionic Liquids

(2008) Koichi Fumino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Cation–Anion Interaction in Ionic Liquids Probed by Far-Infrared Spectroscopy

(2008) Koichi Fumino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Morphology of 1-alkyl-3-methylimidazolium hexafluorophosphate room temperature ionic liquids

(2008) Alessandro Triolo et al.   CHEMICAL PHYSICS LETTERS

Validation of Dispersion-Corrected Density Functional Theory Approaches for Ionic Liquid Systems

(2008) Stefan Zahn et al.   JOURNAL OF PHYSICAL CHEMISTRY A