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Direct Correlation between Ionic Liquid Transport Properties and Ion Pair Lifetimes: A Molecular Dynamics Study
American Chemical Society | 2015| -
Atomistic Simulation of the Thermodynamic and Transport Properties of Ionic Liquids
American Chemical Society | 2007| -
Water-In-Salt LiTFSI Aqueous Electrolytes (2): Transport Properties and Li+ Dynamics Based on Molecular Dynamics Simulations
American Chemical Society | 2021| -
Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids
National licenceRoyal Society of Chemistry | 2014| -
A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids
American Chemical Society | 2012| -
The effect of C2 substitution on melting point and liquid phase dynamics of imidazolium based-ionic liquids: insights from molecular dynamics simulations
National licenceRoyal Society of Chemistry | 2012| -
Critical behaviour and vapour-liquid coexistence of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids via Monte Carlo simulations
National licenceRoyal Society of Chemistry | 2011| -
Vapor–Liquid Coexistence and Critical Behavior of Ionic Liquids via Molecular Simulations
American Chemical Society | 2011| -
Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method
American Chemical Society | 2015| -
GAFF-Based Polarizable Force Field Development and Validation for Ionic Liquids
American Chemical Society | 2024| -
Fully Atomistic Molecular Dynamics Simulations of Hydroxyl-Terminated Polybutadiene with Insights into Hydroxyl Aggregation
American Chemical Society | 2020| -
Reaction Ensemble Monte Carlo Simulation of Xylene Isomerization in Bulk Phases and under Confinement
American Chemical Society | 2017| -
Toward Fully in Silico Melting Point Prediction Using Molecular Simulations
American Chemical Society | 2013|
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