화학공학소재연구정보센터
검색결과 : 18건
No. Article
1 MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study
Wrobel P, Kubisiak P, Eilmes A
Journal of Physical Chemistry B, 125(4), 1248, 2021
2 Molecular Dynamics Investigation of Correlations in Ion Transport in MeTFSI/EMIM-TFSI (Me = Li, Na) Electrolytes
Kubisiak P, Wrobel P, Eilmes A
Journal of Physical Chemistry B, 124(2), 413, 2020
3 Estimates of Electrical Conductivity from Molecular Dynamics Simulations: How to Invest the Computational Effort
Kubisiak P, Eilmes A
Journal of Physical Chemistry B, 124(43), 9680, 2020
4 Understanding the Structure of the Hydrogen Bond Network and Its Influence on Vibrational Spectra in a Prototypical Aprotic Ionic Liquid
Brela MZ, Kubisiak P, Eilmes A
Journal of Physical Chemistry B, 122(41), 9527, 2018
5 Work function modifications of graphite surface via oxygen plasma treatment
Duch J, Kubisiak P, Adolfsson KH, Hakkarainen M, Golda-Cepa M, Kotarba A
Applied Surface Science, 419, 439, 2017
6 Molecular Dynamics Simulations of Ionic Liquid Based Electrolytes for Na-Ion Batteries: Effects of Force Field
Kubisiak P, Eilmes A
Journal of Physical Chemistry B, 121(42), 9957, 2017
7 Explicit Solvent Modeling of IR and UV-Vis Spectra of 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid
Eilmes A, Kubisiak P, Brela M
Journal of Physical Chemistry B, 120(42), 11026, 2016
8 Li+-Oligoglyme Association in the Presence of Ionic Liquid Studied by Molecular Dynamics and Explicit or Implicit Solvent Model
Eilmes A, Kubisiak P
Journal of Physical Chemistry B, 119(35), 11708, 2015
9 Explicit Solvent Modeling of Solvatochromic Probes in Ionic Liquids: Implications of Solvation Shell Structure
Eilmes A, Kubisiak P
Journal of Physical Chemistry B, 119(41), 13185, 2015
10 Quantum-Chemical and Molecular Dynamics Study of M+[TOTO](-) (M = Li, Na, K) Ionic Liquids
Eilmes A, Kubisiak P
Journal of Physical Chemistry B, 117(41), 12583, 2013