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Published in 2019 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.8b02652
Abstract: We theoretically studied the electronic and magnetic properties of the exterior functionalized endohedral metallofullerenes (EMFs) of Gd2@ I h-C80-X (where X is the exterior functional group). Molecular orbital analysis suggests that the presence of unpaired…
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Keywords:
dy2 c80;
c80;
c80 cf3;
cf3 c3n3ph2 ... See more keywords