CL&P: A generic and systematic force field for ionic liquids modeling

Influence of Ester Functional Groups on the Liquid-Phase Structure and Solvation Properties of Imidazolium-Based Ionic Liquids

(2011) Alfonso S. Pensado et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

Molecular Force Field for Ionic Liquids V: Hydroxyethylimidazolium, Dimethoxy-2- Methylimidazolium, and Fluoroalkylimidazolium Cations and Bis(Fluorosulfonyl)Amide, Perfluoroalkanesulfonylamide, and Fluoroalkylfluorophosphate Anions

(2010) Karina Shimizu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Effect of Methylation at the C2 Position of Imidazolium on the Structure of Ionic Liquids Revealed by Large Angle X-ray Scattering Experiments and MD Simulations

(2009) Kenta Fujii et al.   CHEMISTRY LETTERS

Molecular dynamics simulation of dual amino-functionalized imidazolium-based ionic liquids

(2009) Xiaomin Liu et al.   FLUID PHASE EQUILIBRIA

Volatility of Aprotic Ionic Liquids — A Review

(2009) José M. S. S. Esperança et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Ionic velocities in an ionic liquid under high electric fields using all-atom and coarse-grained force field molecular dynamics

(2009) John W. Daily et al.   JOURNAL OF CHEMICAL PHYSICS

Transferable Coarse-Grained Models for Ionic Liquids

(2009) Yanting Wang et al.   Journal of Chemical Theory and Computation

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

X-Ray reflectometry studies on the effect of water on the surface structure of [C4mpyr][NTf2] ionic liquid

(2009) Y. Lauw et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular dynamics simulation of the electrochemical interface between a graphite surface and the ionic liquid [BMIM][PF6]

(2009) Sergey A. Kislenko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modelling room temperature ionic liquids

(2008) B. L. Bhargava et al.   CHEMICAL COMMUNICATIONS

An application of the consistent charge equilibration (CQEq) method to guanidinium ionic liquid systems

(2008) Masato Tanaka et al.   CHEMICAL PHYSICS LETTERS

A Tale of Two Ions:  The Conformational Landscapes of Bis(trifluoromethanesulfonyl)amide andN,N-Dialkylpyrrolidinium

(2008) José N. Canongia Lopes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Atomistic Simulation of the Absorption of Carbon Dioxide and Water in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide ([hmim][Tf2N]

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

Molecular Force Field for Ionic Liquids IV:  Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions

(2008) José N. Canongia Lopes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Interaction between the π-System of Toluene and the Imidazolium Ring of Ionic Liquids: A Combined NMR and Molecular Simulation Study

(2008) Thibaut Gutel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A comparison of ether- and alkyl-derivatized imidazolium-based room-temperature ionic liquids: a molecular dynamics simulation study

(2008) Grant D. Smith et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS