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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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Flexibility is the key to tuning the transport properties of fluorinated imide-based ionic liquids

Chemical science (Cambridge), 2022-08, Vol.13 (32), p.9176-919

2022

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Ion pair free energy surface as a probe of ionic liquid structure

The Journal of chemical physics, 2020-01, Vol.152 (1), p.014103-014103

2020

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Electrochemical Properties and Local Structure of the TEMPO/TEMPO+ Redox Pair in Ionic Liquids

The journal of physical chemistry. B, 2023-01, Vol.127 (3), p.742-756

2023

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The local structure in the BmimPF6/acetonitrile mixture: the charge distribution effect

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (34), p.2189-2192

2018

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Ambient energy dispersion and long-term stabilisation of large graphene sheets from graphite using a surface energy matched ionic liquid

Journal of ionic liquids, 2021-09, Vol.1 (1), p.100001, Article 100001

2021

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Formation of Polymer-like Nanochains with Short Lithium–Lithium Distances in a Water-in-Salt Electrolyte

Journal of the American Chemical Society, 2024-03, Vol.146 (12), p.8142-8148

2024

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Speciation of the proton in water-in-salt electrolytes

Faraday discussions, 2024-07

2024

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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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Solvation-Tuned Photoacid as a Stable Light-Driven pH Switch for CO2 Capture and Release

Chemistry of materials, 2024-02, Vol.36 (3), p.1308-1317

2024

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Solvation-Tuned Photoacid as a Stable Light-Driven pH Switch for CO 2 Capture and Release

Chemistry of materials, 2024-02, Vol.36 (3), p.1308-1317

2024

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Disclosing the Interfacial Electrolyte Structure of Na-Insertion Electrode Materials: Origins of the Desolvation Phenomenon

ACS applied materials & interfaces, 2023-12, Vol.15 (51), p.59380-59388

2023

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Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations

Advanced materials (Weinheim), 2024-08, p.e2405230

2024

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Transferable, Polarizable Force Field for Electrolytes, Protic Ionic Liquids and Deep Eutectic Solvents

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

2021

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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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MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

The Journal of chemical physics, 2022-11, Vol.157 (18), p.184801-184801

2022

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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)

2022

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Attraction between Like Charged Ions in Ionic Liquids: Unveiling the Enigma of Tetracyanoborate Anions

The journal of physical chemistry letters, 2024-01, Vol.15 (1), p.248-253

2024

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Spotting Interface Structuring during Na‐Insertion into the NaSICON Na3V2(PO4)3 by EQCM and Operando Fiber Optic Infrared Spectroscopy

Advanced energy materials, 2023-07, Vol.13 (26), p.n/a

2023

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Spotting Interface Structuring during Na‐Insertion into the NaSICON Na 3 V 2 (PO 4 ) 3 by EQCM and Operando Fiber Optic Infrared Spectroscopy

Advanced energy materials, 2023-07, Vol.13 (26)

2023

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Improved carbon dioxide absorption in double-charged ionic liquids

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (4), p.2313-2314

2021

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Charge transfer and polarisability in ionic liquids: a case study

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (5), p.3144-3162

2022

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Enhancement of the solubility of organic dyes in aqueous ionic solvents doped with surfactants

Journal of molecular liquids, 2022-07, Vol.357, p.118958, Article 118958

2022

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Molecular Dynamics of Ionic Liquids from Fast-Field Cycling NMR and Molecular Dynamics Simulations

The journal of physical chemistry. B, 2022-09, Vol.126 (37), p.7143-7158

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

Flexibility is the key to tuning the transport properties of fluorinated imide-based ionic liquids

Ion pair free energy surface as a probe of ionic liquid structure

Electrochemical Properties and Local Structure of the TEMPO/TEMPO+ Redox Pair in Ionic Liquids

The local structure in the BmimPF6/acetonitrile mixture: the charge distribution effect

Ambient energy dispersion and long-term stabilisation of large graphene sheets from graphite using a surface energy matched ionic liquid

Formation of Polymer-like Nanochains with Short Lithium–Lithium Distances in a Water-in-Salt Electrolyte

Speciation of the proton in water-in-salt electrolytes

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

Solvation-Tuned Photoacid as a Stable Light-Driven pH Switch for CO2 Capture and Release

Solvation-Tuned Photoacid as a Stable Light-Driven pH Switch for CO 2 Capture and Release

Disclosing the Interfacial Electrolyte Structure of Na-Insertion Electrode Materials: Origins of the Desolvation Phenomenon

Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations

Transferable, Polarizable Force Field for Electrolytes, Protic Ionic Liquids and Deep Eutectic Solvents

Transferable, Polarizable Force Field for Ionic Liquids

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

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

Attraction between Like Charged Ions in Ionic Liquids: Unveiling the Enigma of Tetracyanoborate Anions

Spotting Interface Structuring during Na‐Insertion into the NaSICON Na3V2(PO4)3 by EQCM and Operando Fiber Optic Infrared Spectroscopy

Spotting Interface Structuring during Na‐Insertion into the NaSICON Na 3 V 2 (PO 4 ) 3 by EQCM and Operando Fiber Optic Infrared Spectroscopy

Improved carbon dioxide absorption in double-charged ionic liquids

Charge transfer and polarisability in ionic liquids: a case study

Enhancement of the solubility of organic dyes in aqueous ionic solvents doped with surfactants

Molecular Dynamics of Ionic Liquids from Fast-Field Cycling NMR and Molecular Dynamics Simulations

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

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