Andrzej Eilmes

Jagiellonian University

Poland

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Articles (16)

Comparative Study of Isomeric TFSI and FPFSI Anions in Li-Ion Electrolytes Using Quantum Chemistry and Ab Initio Molecular Dynamics

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Year:

2025

Vibrational Spectroscopic Identification of the [AlCl2]+ Cation in Ether-Containing Liquid Electrolytes

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Year:

2024

Behavior of Trapped Molecules in Lantern-Like Carcerand Superphanes

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Year:

2024

Ab Initio Molecular Dynamics Simulations of Aqueous LiTFSI Solutions─Structure, Hydrogen Bonding, and IR Spectra

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Year:

2024

Experimental-computational study on the competition between 1,2-dimethoxyethane and tetrahydrofuran in a MACC-based electrolyte

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Year:

2024

On the solvation structures formed in conditioning-free MMAC-based electrolytes: A theoretical–experimental spectroscopic insight of interest to Mg battery area

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Year:

2023

Effects of Me–Solvent Interactions on the Structure and Infrared Spectra of MeTFSI (Me = Li, Na) Solutions in Carbonate Solvents—A Test of the GFN2-xTB Approach in Molecular Dynamics Simulations

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Year:

2023

Hydrogen Bonding and Infrared Spectra of Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/Water Mixtures: A View from Molecular Dynamics Simulations

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Year:

2022

Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate

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Year:

2022

Unraveling the solvates in a diethylene glycol dimethyl ether-based electrolyte: A computational-experimental spectroscopic contribution to Mg battery area

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Year:

2022

Theory-experiment partnership applied to the spectroscopic analysis of a promising conditioning-free electrolyte for Mg batteries

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Year:

2022

How Temperature, Pressure, and Salt Concentration Affect Correlations in LiTFSI/EMIM-TFSI Electrolytes: A Molecular Dynamics Study

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Year:

2021

NaFSI and NaTFSI Solutions in Ether Solvents from Monoglyme to Poly(ethylene oxide)—A Molecular Dynamics Study

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Year:

2021

Combining experimental and theoretical vibrational spectroscopy to study magnesium aluminum chloride complex electrolytes

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Year:

2021

MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study

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Year:

2021

Estimates of Electrical Conductivity from Molecular Dynamics Simulations: How to Invest the Computational Effort

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Year:

2020

Andrzej Eilmes

Research Interests

Explore related searches

Contact this professor

Articles (16)

Comparative Study of Isomeric TFSI and FPFSI Anions in Li-Ion Electrolytes Using Quantum Chemistry and Ab Initio Molecular Dynamics

Vibrational Spectroscopic Identification of the [AlCl2]+ Cation in Ether-Containing Liquid Electrolytes

Behavior of Trapped Molecules in Lantern-Like Carcerand Superphanes

Ab Initio Molecular Dynamics Simulations of Aqueous LiTFSI Solutions─Structure, Hydrogen Bonding, and IR Spectra

Experimental-computational study on the competition between 1,2-dimethoxyethane and tetrahydrofuran in a MACC-based electrolyte

On the solvation structures formed in conditioning-free MMAC-based electrolytes: A theoretical–experimental spectroscopic insight of interest to Mg battery area

Effects of Me–Solvent Interactions on the Structure and Infrared Spectra of MeTFSI (Me = Li, Na) Solutions in Carbonate Solvents—A Test of the GFN2-xTB Approach in Molecular Dynamics Simulations

Hydrogen Bonding and Infrared Spectra of Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/Water Mixtures: A View from Molecular Dynamics Simulations

Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate

Unraveling the solvates in a diethylene glycol dimethyl ether-based electrolyte: A computational-experimental spectroscopic contribution to Mg battery area

Theory-experiment partnership applied to the spectroscopic analysis of a promising conditioning-free electrolyte for Mg batteries

How Temperature, Pressure, and Salt Concentration Affect Correlations in LiTFSI/EMIM-TFSI Electrolytes: A Molecular Dynamics Study

NaFSI and NaTFSI Solutions in Ether Solvents from Monoglyme to Poly(ethylene oxide)—A Molecular Dynamics Study

Combining experimental and theoretical vibrational spectroscopy to study magnesium aluminum chloride complex electrolytes

MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study

Estimates of Electrical Conductivity from Molecular Dynamics Simulations: How to Invest the Computational Effort

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