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Microstructures and Interaction Analyses of Phosphonium-Based Ionic Liquids: A Simulation Study

https://doi.org/10.1021/jp210696r
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Macroelectrode voltammetry in toluene using a phosphonium–phosphate ionic liquid as the supporting electrolyte
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Physical and electrochemical properties of low-viscosity phosphonium ionic liquids as potential electrolytes
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Molecular dynamics simulation of acyclic guanidinium-based ionic liquids
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Tetraalkylphosphonium-based ionic liquids
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Computer simulation of diffusion coefficients of the room-temperature ionic liquid [bmim][BF4]: Problems with classical simulation techniques
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Molten phosphonium iodides as electrolytes in dye-sensitized nanocrystalline solar cells
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Solid state NMR analysis of polypyrrole grown in a phosphonium ionic liquid
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An ionic liquid based on a cyclic guanidinium cation is an efficient medium for the selective oxidation of benzyl alcohols
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M.DynaMix – a scalable portable parallel MD simulation package for arbitrary molecular mixtures
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Elucidation of Rate Variations for a Diels−Alder Reaction in Ionic Liquids from QM/MM Simulations
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Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids
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Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation
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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
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A Force Field for Liquid State Simulations on Room Temperature Molten Salts: 1-Ethyl-3-methylimidazolium Tetrachloroaluminate
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Computational Study of Room Temperature Molten Salts Composed by 1-Alkyl-3-methylimidazolium CationsForce-Field Proposal and Validation
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Molecular Dynamics Study of the Ionic Liquid 1-n-Butyl-3-methylimidazolium Hexafluorophosphate
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Molecular Modeling and Experimental Studies of the Thermodynamic and Transport Properties of Pyridinium-Based Ionic Liquids
inferredcites →https://doi.org/10.1021/jp056931kopenalex-snapshot
Development of Complex Classical Force Fields through Force Matching to ab Initio Data: Application to a Room-Temperature Ionic Liquid
inferredcites →https://doi.org/10.1021/jp057533kopenalex-snapshot
Using Spectroscopic Data on Imidazolium Cation Conformations To Test a Molecular Force Field for Ionic Liquids
inferredcites →https://doi.org/10.1021/jp060834popenalex-snapshot
New Force Field for Molecular Simulation of Guanidinium-Based Ionic Liquids
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Parametrization of 1-Butyl-3-methylimidazolium Hexafluorophosphate/Nitrate Ionic Liquid for the GROMOS Force Field
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Transport Properties of the Ionic Liquid 1-Ethyl-3-Methylimidazolium Chloride from Equilibrium Molecular Dynamics Simulation. The Effect of Temperature
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Molecular Simulation Study of Some Thermophysical and Transport Properties of Triazolium-Based Ionic Liquids
inferredcites →https://doi.org/10.1021/jp063901oopenalex-snapshot
Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions
inferredcites →https://doi.org/10.1021/jp068365eopenalex-snapshot
A Force Field for Molecular Simulation of Tetrabutylphosphonium Amino Acid Ionic Liquids
inferredcites →https://doi.org/10.1021/jp068849aopenalex-snapshot
Molecular Simulation of Guanidinium-Based Ionic Liquids
inferredcites →https://doi.org/10.1021/jp073161zopenalex-snapshot
Force Field of the TMGL Ionic Liquid and the Solubility of SO2 and CO2 in the TMGL from Molecular Dynamics Simulation
inferredcites →https://doi.org/10.1021/jp800281eopenalex-snapshot
Molecular Force Field for Ionic Liquids IV: Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions
inferredcites →https://doi.org/10.1021/jp801280sopenalex-snapshot
A Force Field for Guanidinium-Based Ionic Liquids That Utilizes the Electron Charge Distribution of the Actual Liquid: A Molecular Simulation Study
inferredcites →https://doi.org/10.1021/jp808333aopenalex-snapshot
Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study
inferredcites →https://doi.org/10.1021/jp900403qopenalex-snapshot
Absorption of CO2 in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Tris(pentafluoroethyl)trifluorophosphate ([hmim][FEP]): A Molecular View by Computer Simulations
inferredcites →https://doi.org/10.1021/jp905220kopenalex-snapshot
Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids
inferredcites →https://doi.org/10.1021/jp911337fopenalex-snapshot
Improved United-Atom Force Field for 1-Alkyl-3-methylimidazolium Chloride
inferredcites →https://doi.org/10.1021/jp9120468openalex-snapshot
Molecular Force Field for Ionic Liquids V: Hydroxyethylimidazolium, Dimethoxy-2- Methylimidazolium, and Fluoroalkylimidazolium Cations and Bis(Fluorosulfonyl)Amide, Perfluoroalkanesulfonylamide, and Fluoroalkylfluorophosphate Anions
inferredcites →https://doi.org/10.1021/jp9717655openalex-snapshot
Application of the RESP Methodology in the Parametrization of Organic Solvents
inferredcites →https://doi.org/10.1021/jp973084fopenalex-snapshot
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inferredcites →https://doi.org/10.1039/b515905aopenalex-snapshot
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inferredcites →https://doi.org/10.1039/b710014kopenalex-snapshot
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inferredcites →https://doi.org/10.1039/c0cp02581jopenalex-snapshot
Molecular dynamics simulations of the structure and transport properties of tetra-butylphosphonium amino acid ionic liquids
inferredcites →https://doi.org/10.1063/1.1901812openalex-snapshot
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inferredcites →https://doi.org/10.1080/08927020903124569openalex-snapshot
Molecular simulations of phosphonium-based ionic liquid
inferredcites →https://doi.org/10.1149/1.2404789openalex-snapshot
Electrochemical Aspects of Asymmetric Phosphonium Ionic Liquids

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Studying Physico-chemical Properties of Adsorption of 1-butyl-3-methyl Imidazole Hexafluorophosphate Ionic Liquid on Single-walled Carbon
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Liquid‐liquid phase split in ionic liquid + toluene mixtures induced by CO2
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