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Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular Dynamics

The journal of physical chemistry. B, 2020-08, Vol.124 (34), p.7433-7443

2020

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Liquid-Phase Exfoliation of Phosphorene: Design Rules from Molecular Dynamics Simulations

ACS nano, 2015-08, Vol.9 (8), p.8255-8268

2015

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Understanding the role of co-solvents in the dissolution of cellulose in ionic liquids

Green chemistry : an international journal and green chemistry resource : GC, 2014-01, Vol.16 (5), p.2528-2538

2014

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Effect of side chain modifications in imidazolium ionic liquids on the properties of the electrical double layer at a molybdenum disulfide electrode

The Journal of chemical physics, 2021-02, Vol.154 (8), p.084504-084504

2021

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Self-assembled nanostructures in ionic liquids facilitate charge storage at electrified interfaces

Nature materials, 2019-12, Vol.18 (12), p.1350-1357

2019

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New solvent-stabilized few-layer black phosphorus for antibacterial applications

Nanoscale, 2018-01, Vol.10 (26), p.12543-12553

2018

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Transferable, Polarizable Force Field for Ionic Liquids

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.5858-5871

2019

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High‐Performance Porous Ionic Liquids for Low‐Pressure CO2 Capture

Angewandte Chemie International Edition, 2021-06, Vol.60 (23), p.12876-12882

International ed. in English, 2021

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The CL&Pol polarizable force field for the simulation of ionic liquids and eutectic solvents

Wiley interdisciplinary reviews. Computational molecular science, 2022-05, Vol.12 (3), p.e1572-n/a

2022

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Sodium diffusion in ionic liquid-based electrolytes for Na-ion batteries: the effect of polarizable force fields

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (35), p.2114-2122

2020

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Solvation and Stabilization of Metallic Nanoparticles in Ionic Liquids

Angewandte Chemie (International ed.), 2011-09, Vol.50 (37), p.8683-8687

International ed. in English, 2011

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Extension of the CL&Pol Polarizable Force Field to Electrolytes, Protic Ionic Liquids, and Deep Eutectic Solvents

Journal of chemical theory and computation, 2021-03, Vol.17 (3), p.1606-1617

2021

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Solvation Environments in Porous Ionic Liquids Determine Selectivity in CO2 Conversion to Cyclic Carbonates

The journal of physical chemistry. B, 2023-04, Vol.127 (14), p.3266-3277

2023

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Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator

Journal of chemical information and modeling, 2016-01, Vol.56 (1), p.260-268

2016

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Ab initio molecular dynamics simulations of SO2 solvation in choline chloride/glycerol deep eutectic solvent

Fluid phase equilibria, 2017-09, Vol.448, p.59-68

2017

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On the Regular Behavior of a Binary Mixture of Ionic Liquids

The journal of physical chemistry. B, 2019-08, Vol.123 (30), p.6579-6587

2019

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Prediction of Ionic Liquid Properties. I. Volumetric Properties as a Function of Temperature at 0.1 MPa

Journal of chemical and engineering data, 2008-03, Vol.53 (3), p.716-726

2008

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Effect of Unsaturation on the Absorption of Ethane and Ethylene in Imidazolium-Based Ionic Liquids

The journal of physical chemistry. B, 2013-06, Vol.117 (24), p.7416-7425

2013

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Effect of Surface Chemistry on the Electrical Double Layer in a Long-Chain Ionic Liquid

Langmuir, 2023-11, Vol.39 (47), p.16785-16796

2023

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Ionic liquids at the surface of graphite: Wettability and structure

The Journal of chemical physics, 2018-05, Vol.148 (19), p.193840-193840

2018

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Prediction of Ionic Liquid Properties. II. Volumetric Properties as a Function of Temperature and Pressure

Journal of chemical and engineering data, 2008-09, Vol.53 (9), p.2133-2143

2008

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Thermal Conductivity of Ionic Liquids and IoNanofluids and Their Feasibility as Heat Transfer Fluids

Industrial & engineering chemistry research, 2018-05, Vol.57 (18), p.6516-6529

2018

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Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions

The journal of physical chemistry. B, 2006-10, Vol.110 (39), p.19586-19592

2006

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Solvation Environments in Porous Ionic Liquids Determine Selectivity in CO 2 Conversion to Cyclic Carbonates

The journal of physical chemistry. B, 2023-04, Vol.127 (14), p.3266-3277

2023

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Selectivity enhancement in the aqueous acid-catalyzed conversion of glucose to 5-hydroxymethylfurfural induced by choline chloride

Green chemistry : an international journal and green chemistry resource : GC, 2013-01, Vol.15 (11), p.3205-3213

2013

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Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular Dynamics

Liquid-Phase Exfoliation of Phosphorene: Design Rules from Molecular Dynamics Simulations

Understanding the role of co-solvents in the dissolution of cellulose in ionic liquids

Effect of side chain modifications in imidazolium ionic liquids on the properties of the electrical double layer at a molybdenum disulfide electrode

Self-assembled nanostructures in ionic liquids facilitate charge storage at electrified interfaces

New solvent-stabilized few-layer black phosphorus for antibacterial applications

Transferable, Polarizable Force Field for Ionic Liquids

High‐Performance Porous Ionic Liquids for Low‐Pressure CO2 Capture

The CL&Pol polarizable force field for the simulation of ionic liquids and eutectic solvents

Sodium diffusion in ionic liquid-based electrolytes for Na-ion batteries: the effect of polarizable force fields

Solvation and Stabilization of Metallic Nanoparticles in Ionic Liquids

Extension of the CL&Pol Polarizable Force Field to Electrolytes, Protic Ionic Liquids, and Deep Eutectic Solvents

Solvation Environments in Porous Ionic Liquids Determine Selectivity in CO2 Conversion to Cyclic Carbonates

Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator

Ab initio molecular dynamics simulations of SO2 solvation in choline chloride/glycerol deep eutectic solvent

On the Regular Behavior of a Binary Mixture of Ionic Liquids

Prediction of Ionic Liquid Properties. I. Volumetric Properties as a Function of Temperature at 0.1 MPa

Effect of Unsaturation on the Absorption of Ethane and Ethylene in Imidazolium-Based Ionic Liquids

Effect of Surface Chemistry on the Electrical Double Layer in a Long-Chain Ionic Liquid

Ionic liquids at the surface of graphite: Wettability and structure

Prediction of Ionic Liquid Properties. II. Volumetric Properties as a Function of Temperature and Pressure

Thermal Conductivity of Ionic Liquids and IoNanofluids and Their Feasibility as Heat Transfer Fluids

Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions

Solvation Environments in Porous Ionic Liquids Determine Selectivity in CO 2 Conversion to Cyclic Carbonates

Selectivity enhancement in the aqueous acid-catalyzed conversion of glucose to 5-hydroxymethylfurfural induced by choline chloride

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