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Studying Physico-chemical Properties of Adsorption of 1-butyl-3-methyl Imidazole Hexafluorophosphate Ionic Liquid on Single-walled Carbon

https://doi.org/10.2139/ssrn.4842681
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Theoretical insights into the mechanism of CO2 physisorption on Al–N ring doped on the carbon nanotube: a DFT study
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The Effects of Zn Doping on the Interaction of a Single Walled Carbon Nanotube with Penicillamine Drug: A DFT Study
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Density-functional theory of atoms and molecules
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Ab initio investigation of Al- and Ga-doped single-walled boron nitride nanotubes as ammonia sensor
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Pseudopotentials for high-throughput DFT calculations
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Hydrogen fluoride capture by imidazolium acetate ionic liquid
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Molecular dynamics simulations of imidazolium-based ionic liquid/water mixtures: Alkyl side chain length and anion effects
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Molecular dynamics simulation of diffusion of nitrobenzene in 3-methylimidazolium hexafluorophosphate ionic liquids
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Does interaction between an amino acid anion and methylimidazolium cation lead to a nanostructured ion pairs of [Mim][AA] as an ionic liquid?
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Molecular dynamics investigation of thermo-physical properties and hydrogen-bonds of 1-ethyl-3-methylimidazolium dimethylphosphate-water system
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MD study of structure and dynamic properties of the 1-n-alkyl-3-methylimidazolium tris(perfluoroalkyl)trifluorophosphate ionic liquids
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A study on the effect of 1-butyl-4-methylpyridinium bromide adsorption on the structural and electronic properties of B12N12 nano-cage
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Adsorption behavior of metformin drug on boron nitride fullerenes: Thermodynamics and DFT studies
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Adsorption behavior of 5-fluorouracil on pristine, B-, Si-, and Al-doped C60 fullerenes: A first-principles study
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Molecular Dynamics Simulation for the Binary Mixtures of High Pressure Carbon Dioxide and Ionic Liquids
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Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis
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Removal of Organic Sulfur from Hydrocarbon Resources Using Ionic Liquids
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Electrochemical scrutiny of organometallic iron complexes and hexamethylbenzene in a room temperature molten salt
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Unique Spatial Heterogeneity in Ionic Liquids
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A Molecular Dynamics Study of Collective Transport Properties of Imidazolium-Based Room-Temperature Ionic Liquids
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Densities and Derived Thermodynamic Properties of Imidazolium-, Pyridinium-, Pyrrolidinium-, and Piperidinium-Based Ionic Liquids
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Density, Viscosity, and Surface Tension of Synthesis Grade Imidazolium, Pyridinium, and Pyrrolidinium Based Room Temperature Ionic Liquids
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Structural Properties of 1-Alkyl-3-methylimidazolium Bis{(trifluoromethyl)sulfonyl}amide Ionic Liquids: X-ray Diffraction Data and Molecular Dynamics Simulations
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Microstructures and Interaction Analyses of Phosphonium-Based Ionic Liquids: A Simulation Study
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Viscosity of a Room Temperature Ionic Liquid: Predictions from Nonequilibrium and Equilibrium Molecular Dynamics Simulations
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Improved United-Atom Force Field for 1-Alkyl-3-methylimidazolium Chloride
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Molecular dynamics simulation of room-temperature ionic liquid mixture of [bmim][BF4] and acetonitrile by a refined force field
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Air and water stable ionic liquids in physical chemistry
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Viscosity scaling of the self-diffusion and velocity cross-correlation coefficients of two functionalised ionic liquids and of their non-functionalized analogues
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Spotlight on ionic liquids
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A molecular dynamics investigation of the structural and dynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
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Studies of structural, dynamical, and interfacial properties of 1-alkyl-3-methylimidazolium iodide ionic liquids by molecular dynamics simulation
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A Density-Functional Theory of CO2 Interaction with a Hafnium-Titanium Nanocluster
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Extractive Deep Desulfurization of Liquid Fuels Using Lewis-Based Ionic Liquids
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Stability of Ionic Liquids in Application Conditions
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On the Extraction of Aromatic Compounds from Hydrocarbons by Imidazolium Ionic Liquids
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