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List of works by Andrzej Eilmes

A DFT/TDDFT study on spectral effects of metal ion interactions with benzofurazan-based fluorescent probes ⬇️

scientific article published on August 19, 2012

A test of the method of images at the surface of molecular materials

scientific article published on 01 February 2004

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

scientific article published in July 2021

Dicationic derivatives of dinaphthotetraaza[14]annulene: synthesis, crystal structures and the preliminary evaluation of their DNA binding properties

scientific article published in June 2015

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

scientific article published on 16 October 2020

Explicit Solvent Modeling of IR and UV-Vis Spectra of 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid

scientific article

Explicit Solvent Modeling of Solvatochromic Probes in Ionic Liquids: Implications of Solvation Shell Structure.

scientific article

F− and OH− induced monodeprotonation of a lacunar cationic dibenzotetraaza[14]annulene: experimental evidence of tautomerism in a monoanionic macrocycle

scientific article published in July 2011

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

scientific article published on 28 October 2021

Interactions in Sodium Bis(fluorosulfonyl)imide/1-Ethyl-3-methylimidazolium Bis(fluorosulfonyl)imide Electrolytes for Na-Ion Batteries: Insights from Molecular Dynamics Simulations

scientific article published on 28 May 2019

Ion aggregation in complexes of alkali metal iodides and poly(ethylene oxide) or pentaglyme studied by molecular dynamics

scientific article published in 2020

Li(+)-Oligoglyme Association in the Presence of Ionic Liquid Studied by Molecular Dynamics and Explicit or Implicit Solvent Model

scientific article published on 13 August 2015

Li+ binding to fluorinated carbonate solvents studied by ab initio quantum chemical calculations

scientific article published in December 2016

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

scientific article published on 22 January 2021

Microscopic calculation of the energetics of charged states in amorphous polyethylene

scientific article published on 01 April 2004

Microscopic calculation of the static electric susceptibility of polyethylene

scientific article published in December 2003

Molecular Dynamics Investigation of Correlations in Ion Transport in MeTFSI/EMIM-TFSI (Me = Li, Na) Electrolytes

scientific article published on 03 January 2020

Molecular Dynamics Simulations of Ionic Liquid Based Electrolytes for Na-Ion Batteries: Effects of Force Field

scientific article published on 4 October 2017

Molecular dynamics study on the effect of Lewis acid centers in poly(ethylene oxide)/LiClO4 polymer electrolyte

scientific article published on 30 November 2011

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

scientific article published on 16 September 2021

New chiral discotics with helical organization of the mesophase—liquid crystalline derivatives of dibenzotetraaza[14]annulene

scientific article published in May 2012

Polarizable continuum model study on the solvent effect of polymer matrix in poly(ethylene oxide)-based solid electrolyte.

scientific article published on 27 August 2008

Quantum-Chemical and Molecular Dynamics Investigations of Magnesium Chloride Complexes in Dimethoxyethane Solutions

scientific article published on 26 May 2020

Quantum-chemical and molecular dynamics study of M+ [TOTO]- (M = Li, Na, K) ionic liquids

scientific article published on 07 October 2013

Quantum-chemical study on the effect of Lewis acid centers in a poly(ethylene oxide)-based solid electrolyte

scientific article published on 23 June 2007

Relative complexation energies for Li(+) ion in solution: molecular level solvation versus polarizable continuum model study.

scientific article published in January 2010

Solvation of Mg 2+ Ions in Mg(TFSI) 2 –Dimethoxyethane Electrolytes—A View from Molecular Dynamics Simulations

scientific article published on 23 May 2018

Solvatochromic probe in molecular solvents: implicit versus explicit solvent model

Spiropyran to merocyanine conversion: explicit versus implicit solvent modeling

scientific article

Stability of ion triplets in ionic liquid/lithium salt solutions: insights from implicit and explicit solvent models and molecular dynamics simulations

scientific article published on 18 February 2015

Understanding the Structure of the Hydrogen Bond Network and Its Influence on Vibrational Spectra in a Prototypical Aprotic Ionic Liquid

scientific article published on 04 October 2018

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