Functionalization of Endohedral Metallofullerenes toward Improving Barrier Height for the Relaxation of Magnetization for Dy2@C80-X (X = CF3, C3N3Ph2).
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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… read more here.
Keywords: dy2 c80; c80; c80 cf3; cf3 c3n3ph2 ... See more keywords