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physics.atm-clus2009
Structural, Magnetic, and Electronic Properties of the Monometallofullerene Gd@C_82 : Theory
Ali Sebetci, Manuel Richter
The structural, electronic, and magnetic properties of Gd@C_82 endohedral metallofullerene have been studied by employing on-site correlation corrected, scalar-relativistic and ful…
physics.atm-clus2008
Transition metal dimers as potential molecular magnets: A challenge to computational chemistry
Daniel Fritsch, Klaus Koepernik, Manuel Richter +1
Dimers are the smallest chemical objects that show magnetic anisotropy. We focus on 3 and 4 transition metal dimers that have magnetic ground states in most cases. Some of th…