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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26962
Abstract: In this report, we study the ordering of C60, Sc3N@C80, and Dy2ScN@C80 molecules on different metallic and dielectric surfaces such as Ag(100), Au(111), and MgO(100). By using DFT techniques, we can classify different types of…
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Keywords:
metallofullerenes mgo;
mgo surfaces;
mgo;
endohedral metallofullerenes ... See more keywords