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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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Structure and Aggregation in the 1‑Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series

The journal of physical chemistry. B, 2014-01, Vol.118 (2), p.567-576

2014

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Bulk nanostructure of the prototypical 'good' and 'poor' solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (26), p.17224-17236

2016

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Ionic liquids with anions based on fluorosulfonyl derivatives: from asymmetrical substitutions to a consistent force field model

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (43), p.29617-29624

2017

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High-Accuracy Vapor Pressure Data of the Extended [C n C1im][Ntf2] Ionic Liquid Series: Trend Changes and Structural Shifts

The journal of physical chemistry. B, 2011-09, Vol.115 (37), p.10919-10926

2011

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Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives

Journal of chemical theory and computation, 2017-12, Vol.13 (12), p.6167-6176

2017

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Solvent effects on the polar network of ionic liquid solutions

Journal of physics. Condensed matter, 2015-05, Vol.27 (19), p.194116-194116

2015

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Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations

The journal of physical chemistry. B, 2013-04, Vol.117 (15), p.4109-4120

2013

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Charge Templates in Aromatic Plus Ionic Liquid Systems Revisited: NMR Experiments and Molecular Dynamics Simulations

The journal of physical chemistry. B, 2014-05, Vol.118 (21), p.5772-5780

2014

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2D or not 2D: structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid

Faraday discussions, 2012, Vol.154, p.155-169

2012

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Systematic Study of the Thermophysical Properties of Imidazolium-Based Ionic Liquids with Cyano-Functionalized Anions

The journal of physical chemistry. B, 2013-09, Vol.117 (35), p.10271-10283

2013

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On the Formation of a Third, Nanostructured Domain in Ionic Liquids

The journal of physical chemistry. B, 2013-09, Vol.117 (37), p.10826-10833

2013

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Ionic Liquids and Water: Hydrophobicity vs. Hydrophilicity

Molecules (Basel, Switzerland), 2021-11, Vol.26 (23), p.7159

2021

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Nano-segregation in ionic liquids: scorpions and vanishing chains

Physical chemistry chemical physics : PCCP, 2013-10, Vol.15 (38), p.16256-16262

2013

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The magic of aqueous solutions of ionic liquids: ionic liquids as a powerful class of catanionic hydrotropes

Green chemistry : an international journal and green chemistry resource : GC, 2015-07, Vol.17 (7), p.3948-3963

2015

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The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach

Chemphyschem, 2021-11, Vol.22 (21), p.2190-2200

2021

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Probing ionic liquid aqueous solutions using temperature of maximum density isotope effects

Molecules (Basel, Switzerland), 2013-03, Vol.18 (4), p.3703-3711

2013

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Viscosity of (C2–C14) 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids in an extended temperature range

Fluid phase equilibria, 2011-02, Vol.301 (1), p.22-32

2011

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Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains

The journal of physical chemistry. B, 2014-06, Vol.118 (24), p.6885-6895

2014

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Tailoring amphotericin B as an ionic liquid: an upfront strategy to potentiate the biological activity of antifungal drugs

RSC advances, 2021-04, Vol.11 (24), p.14441-14452

2021

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Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering

Faraday discussions, 2018-01, Vol.206, p.265-289

2018

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Density, Thermal Expansion and Viscosity of Cholinium-Derived Ionic Liquids

Chemphyschem, 2012-05, Vol.13 (7), p.1902-1909

2012

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The alternation effect in ionic liquid homologous series

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (9), p.433-438

2014

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Plasma membrane permeabilisation by ionic liquids: a matter of charge

Green chemistry : an international journal and green chemistry resource : GC, 2015-01, Vol.17 (9), p.4587-4598

2015

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High-temperature surface tension and density measurements of 1-alkyl-3-methylimidazolium bistriflamide ionic liquids

Fluid phase equilibria, 2010-07, Vol.294 (1), p.131-138

2010

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Transferable, Polarizable Force Field for Ionic Liquids

Structure and Aggregation in the 1‑Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series

Bulk nanostructure of the prototypical 'good' and 'poor' solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]

Ionic liquids with anions based on fluorosulfonyl derivatives: from asymmetrical substitutions to a consistent force field model

High-Accuracy Vapor Pressure Data of the Extended [C n C1im][Ntf2] Ionic Liquid Series: Trend Changes and Structural Shifts

Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives

Solvent effects on the polar network of ionic liquid solutions

Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations

Charge Templates in Aromatic Plus Ionic Liquid Systems Revisited: NMR Experiments and Molecular Dynamics Simulations

2D or not 2D: structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid

Systematic Study of the Thermophysical Properties of Imidazolium-Based Ionic Liquids with Cyano-Functionalized Anions

On the Formation of a Third, Nanostructured Domain in Ionic Liquids

Ionic Liquids and Water: Hydrophobicity vs. Hydrophilicity

Nano-segregation in ionic liquids: scorpions and vanishing chains

The magic of aqueous solutions of ionic liquids: ionic liquids as a powerful class of catanionic hydrotropes

The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach

Probing ionic liquid aqueous solutions using temperature of maximum density isotope effects

Viscosity of (C2–C14) 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids in an extended temperature range

Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains

Tailoring amphotericin B as an ionic liquid: an upfront strategy to potentiate the biological activity of antifungal drugs

Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering

Density, Thermal Expansion and Viscosity of Cholinium-Derived Ionic Liquids

The alternation effect in ionic liquid homologous series

Plasma membrane permeabilisation by ionic liquids: a matter of charge

High-temperature surface tension and density measurements of 1-alkyl-3-methylimidazolium bistriflamide ionic liquids

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