List of works - Piotr Kubisiak

A sodium atom in a large water cluster: Electron delocalization and infrared spectra

scientific article published on 01 April 2008

Alternative Route Toward Nitrones: Experimental and Theoretical Findings

scientific article published on 17 January 2017

An anion induced multisignaling probe for Hg(2+) and its application for fish kidney and liver tissue imaging studies

scientific article published on July 2015

An intermolecular pyrene excimer in the pyrene-labeled N-thiophosphorylated thiourea and its nickel(ii) complex

Complexation properties of N-thiophosphorylated thiourea 2-PyNHC(S)NHP(S)(OiPr)2 towards Ni(II).

scientific article published on 8 March 2013

Crucial Influence of the Intramolecular Hydrogen Bond on the Coordination Mode of RC(S)NHP(S)(OiPr)2in Homoleptic Complexes with NiII

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

scientific article published on 16 October 2020

Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2

scientific article published in 2013

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

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

scientific article published on 28 October 2021

Influence of CH2Cl2for the structure stabilization of the NiIIcomplex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2

Influence of the Homopolar Dihydrogen Bonding C-H⋅⋅⋅H-C on Coordination Geometry: Experimental and Theoretical Studies

scientific article published in October 2015

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

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

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

scientific article published on 22 January 2021

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

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

Ratiometric sensing of lysine through the formation of the pyrene excimer: experimental and computational studies

scientific article published on 01 May 2015

Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study

article

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

Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]

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

Steric and electronic effects in the host-guest hydrogen bonding in clathrate hydrates

scientific article published on 07 February 2011

Supramolecular Coordination Complexes of theN-Thiophosphorylated 2,5-Dithiobiurea [NHC(S)NHP(S)(OiPr)2]2with ZnIIand CdIIIons - Cation-Induced Dinuclear Mesocate Structure versus Tetranuclear Nanoscaled Aggregate

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

List of works by Piotr Kubisiak