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    • Quantum-chemical Research of Endohedral Yttrium Metallofullerenes 

      Kholtobina, Anastasia S.; Tsyplenkova, Darya I.; Kuzubov, Aleksandr A.; Visotin, Maxim A.; Fedorov, Aleksandr S.; Холтобина, Анастасия С.; Цыпленкова, Дарья И.; Кузубов, Александр А.; Высотин, Максим А.; Федоров, Александр С. (Сибирский федеральный университет. Siberian Federal University, 2017-12)
      The structural and electronic properties of single molecule Y@C82, their join couple and crystal structure of Y@C82 were investigated by DFT-GGA approach. The calculations show that Y@C82 form stable crys- tal structures ...