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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 23(20), p. 16021-16032

DOI: 10.1039/c8cp02035c

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

Journal article published in 2018 by Michal Malček ORCID, Lukáš Bučinský ORCID, Filipe Teixeira ORCID, M. Natália D. S. Cordeiro ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Electronic structure, adsorption energies, PDOS & QTAIM analysis.