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Direct Correlation between Ionic Liquid Transport Properties and Ion Pair Lifetimes: A Molecular Dynamics Study
American Chemical Society | 2015| -
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| -
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| -
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| -
Cross-Linking Methodology for Fully Atomistic Models of Hydroxyl-Terminated Polybutadiene and Determination of Mechanical Properties
American Chemical Society | 2021| -
Evaluating physical properties of the orthorhombic crystal phase of ammonium perchlorate using a Class II force field
American Institute of Physics | 2018| -
A general and efficient Monte Carlo method for sampling intramolecular degrees of freedom of branched and cyclic molecules
National licenceAmerican Institute of Physics | 2011| -
Computing the melting point and thermodynamic stability of the orthorhombic and monoclinic crystalline polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride
National licenceAmerican Institute of Physics | 2007| -
Computing the Liquidus of Binary Monatomic Salt Mixtures with Direct Simulation and Alchemical Free Energy Methods
American Chemical Society | 2021|
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