Atomistic reverse nonequilibrium molecular dynamics simulation of the viscosity of ionic liquid 1-n-butyl 3-methylimidazolium bis(trifluoromethylsulfonyl)imide [bmim][Tf2N]

Ion-Pairing and Electrical Conductivity in the Ionic Liquid 1-n-Butyl-3-methylimidazolium Methylsulfate [Bmim][MeSO4]: Molecular Dynamics Simulation Study

(2017) Azam Afandak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dispelling some myths about the CO2 solubility in ionic liquids

(2016) P. J. Carvalho et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural origin of proton mobility in a protic ionic liquid/imidazole mixture: insights from computational and experimental results

(2016) Negin Yaghini et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

THERMOPHYSICAL PROPERTIES OF 1-BUTYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE AT HIGH TEMPERATURES AND PRESSURES

(2015) R. Hamidova et al.   BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING

Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method

(2015) Yong Zhang et al.   Journal of Chemical Theory and Computation

Direct Correlation between Ionic Liquid Transport Properties and Ion Pair Lifetimes: A Molecular Dynamics Study

(2015) Yong Zhang et al.   Journal of Physical Chemistry Letters

Hydrogen bonding in a mixture of protic ionic liquids: a molecular dynamics simulation study

(2015) Dietmar Paschek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Self-diffusion, velocity cross-correlation, distinct diffusion and resistance coefficients of the ionic liquid [BMIM][Tf2N] at high pressure

(2015) Kenneth R. Harris et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dynamics of the ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulphonyl)imide studied by nuclear magnetic resonance dispersion and diffusion

(2015) Amin Ordikhani Seyedlar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ionic-Liquid-Based Proton Conducting Membranes for Anhydrous H2/Cl2 Fuel-Cell Applications

(2014) Sa Liu et al.   ACS Applied Materials & Interfaces

Imidazolium-based ionic liquids with different fatty acid anions: phase behavior, electronic structure and ionic conductivity investigation

(2014) Mrinmoy Biswas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids

(2014) Yong Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electric-double-layer field-effect transistors with ionic liquids

(2013) Takuya Fujimoto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anisotropic heat transport in nanoconfined polyamide-6,6 oligomers: Atomistic reverse nonequilibrium molecular dynamics simulation

(2012) Hossein Eslami et al.   JOURNAL OF CHEMICAL PHYSICS

Ionic Liquid Nanotribology: Stiction Suppression and Surface Induced Shear Thinning

(2012) Rubén Álvarez Asencio et al.   LANGMUIR

Proton transfer and polarity changes in ionic liquid–water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate–water mixtures—Part 1

(2012) Martin Brehm et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reverse nonequilibrium molecular dynamics simulation of thermal conductivity in nanoconfined polyamide-6,6

(2011) Hossein Eslami et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of alkyl chain length and hydroxyl group functionalization on the surface properties of imidazolium ionic liquids

(2011) Alfonso S. Pensado et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Towards large-scale, fully ab initio calculations of ionic liquids

(2011) Ekaterina I. Izgorodina   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A comparison of fluoroalkyl-derivatized imidazolium:TFSI and alkyl-derivatized imidazolium:TFSI ionic liquids: a molecular dynamics simulation study

(2010) Grant D. Smith et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Non-Newtonian viscous shear thinning in ionic liquids

(2010) Geoffrey L. Burrell et al.   Soft Matter

Thermal Conductivity of Amorphous Polystyrene in Supercritical Carbon Dioxide Studied by Reverse Nonequilibrium Molecular Dynamics Simulations†

(2009) Elena A. Algaer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Viscosity of a Room Temperature Ionic Liquid: Predictions from Nonequilibrium and Equilibrium Molecular Dynamics Simulations

(2009) Oleg Borodin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Viscosity of Nanoconfined Polyamide-6,6 Oligomers: Atomistic Reverse Nonequilibrium Molecular Dynamics Simulation

(2009) Hossein Eslami 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

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

Shear Viscosity of the Ionic Liquid 1-n-Butyl 3-Methylimidazolium Hexafluorophosphate [bmim][PF6] Computed by Reverse Nonequilibrium Molecular Dynamics

(2008) Wei Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY B