Development of an AMBER-compatible transferable force field for poly(ethylene glycol) ethers (glymes)

Relationship between pore size and reversible and irreversible immobilization of ionic liquid electrolytes in porous carbon under applied electric potential

(2016) Shannon M. Mahurin et al.   APPLIED PHYSICS LETTERS

Molecular Design of High CO2 Reactivity and Low Viscosity Ionic Liquids for CO2 Separative Facilitated Transport Membranes

(2016) Akihito Otani et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Li+ Local Structure in Hydrofluoroether Diluted Li-Glyme Solvate Ionic Liquid

(2016) Soshi Saito et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Design Approach to Lithium-Ion Battery Electrolyte Based on Diluted Solvate Ionic Liquids

(2016) Kazuhide Ueno et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Microstructure of room temperature ionic liquids at stepped graphite electrodes

(2015) Guang Feng et al.   AICHE JOURNAL

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

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

Molecular Topology and Local Dynamics Govern the Viscosity of Imidazolium-Based Ionic Liquids

(2015) Yong Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The General AMBER Force Field (GAFF) Can Accurately Predict Thermodynamic and Transport Properties of Many Ionic Liquids

(2015) K. G. Sprenger et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structures of [Li(glyme)]+ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulations

(2015) Seiji Tsuzuki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural and aggregate analyses of (Li salt + glyme) mixtures: the complex nature of solvate ionic liquids

(2015) Karina Shimizu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Glymes as versatile solvents for chemical reactions and processes: from the laboratory to industry

(2013) Shaokun Tang et al.   RSC Advances

A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids

(2012) Yong Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Change from Glyme Solutions to Quasi-ionic Liquids for Binary Mixtures Consisting of Lithium Bis(trifluoromethanesulfonyl)amide and Glymes

(2011) Kazuki Yoshida et al.   Journal of Physical Chemistry C

Density, viscosity, and solubility of carbon dioxide in glymes

(2010) Daisuke Kodama et al.   FLUID PHASE EQUILIBRIA

Mesoscale Molecular Dynamics Simulations of the Force between Surfaces with Grafted Poly(ethylene oxide) Chains Derived from Atomistic Simulations

(2010) Rodrigo M. Cordeiro et al.   MACROMOLECULES

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Study of static permittivity and density of the systems {(n-nonane+monoglyme or diglyme)} at various temperatures

(2008) A. Lago et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Modeling of Aqueous Poly(oxyethylene) Solutions. 2. Mesoscale Simulations

(2008) Jan Fischer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modeling of Aqueous Poly(oxyethylene) Solutions:  1. Atomistic Simulations

(2008) Jan Fischer et al.   JOURNAL OF PHYSICAL CHEMISTRY B