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List of works by Michal Malček

Calculations of hyperfine coupling constant of copper(II) in aqueous environment. Finite temperature molecular dynamics and relativistic effects

scientific article published on 18 August 2015

Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs

scientific article published on 17 September 2014

Coordination bonding in dicopper and dichromium tetrakis(μ-acetato)-diaqua complexes: Nature, strength, length, and topology

scientific article published on 05 December 2019

Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study

scientific article published on 01 June 2018

Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics study

scientific article published on 01 May 2018

Protonation and electronic structure of 2,6-dichlorophenolindophenolate during reduction. A theoretical study including explicit solvent.

scientific article published on 29 September 2016

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