Piotr Wróbel

8PUBLICATIONS
2CO-AUTHORS
Theoretical quantum chemistryChemical thermodynamics and energeticsOrganometallic chemistryStructural properties of condensed matterInorganic materials (incl. nanomaterials)
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Publications (8)

|Jan 18, 2024
Ab Initio Molecular Dynamics Simulations of Aqueous LiTFSI Solutions─Structure, Hydrogen Bonding, and IR Spectra.

Piotr Wróbel, Piotr Kubisiak, Andrzej Eilmes

|Sep 28, 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.

Piotr Wróbel, Andrzej Eilmes

|Dec 23, 2022
Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate.

Andrzej Eilmes, Piotr Kubisiak, Piotr Wróbel

|Dec 14, 2022
Hydrogen Bonding and Infrared Spectra of Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/Water Mixtures: A View from Molecular Dynamics Simulations.

Piotr Wróbel, Piotr Kubisiak, Andrzej Eilmes

|Oct 28, 2021
How Temperature, Pressure, and Salt Concentration Affect Correlations in LiTFSI/EMIM-TFSI Electrolytes: A Molecular Dynamics Study.

Piotr Kubisiak, Piotr Wróbel, Andrzej Eilmes

|Sep 08, 2021
NaFSI and NaTFSI Solutions in Ether Solvents from Monoglyme to Poly(ethylene oxide)-A Molecular Dynamics Study.

Piotr Wróbel, Piotr Kubisiak, Andrzej Eilmes

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Frequent Collaborators

8 joint publications

Andrzej Eilmes

6 joint publications

Piotr Kubisiak