Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp02035c
Mal ek, Michal, Bu inský, Lukáš, Teixeira, Filipe, Cordeiro, M. Natália D. S
Year of Publication 13.06.2018
Year of Publication 13.06.2018
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Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study
Mal ek, Michal, Ko íšková, Júlia, Herich, Peter, Rapta, Peter, Stepanenko, Iryna, Arion, Vladimir B
Published in New journal of chemistry (14.08.2020)
Published in New journal of chemistry (14.08.2020)
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Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp01541d
Voroshylova, Iuliia V, Ferreira, Elisabete S. C, Mal ek, Michal, Costa, Renata, Pereira, Carlos M, Cordeiro, M. Natália D. S
Year of Publication 30.05.2018
Year of Publication 30.05.2018
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Dinuclear manganese(iii) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation studyElectronic supplementary information (ESI) available: Computational details and discussion of theoretically determined EPR properties; packing features of 1, 3 (Fig. S1) and 2 (Fig. S2), cyclic voltammograms of 1 and 2 (Fig. S3), HFEPR spectra of 1 and 2 (Fig. S4-S7), fragment of the experimental HFEPR spectrum of 1 and e
Shova, Sergiu, Vlad, Angelica, Cazacu, Maria, Krzystek, J, Ozarowski, Andrew, Mal ek, Michal, Bucinsky, Lukas, Rapta, Peter, Cano, Joan, Telser, Joshua, Arion, Vladimir B
Year of Publication 07.05.2019
Year of Publication 07.05.2019
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Exploring hydrogen binding and activation on transition metal-modified circumcoronene
Müllerová, Simona, Malček, Michal, Bucinsky, Lukas, Cordeiro, Maria Natália Dias Soeiro
Published in Carbon Letters (01.06.2024)
Published in Carbon Letters (01.06.2024)
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