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Organometallic chemistry of new carbon materials (NCM) such as both pristine and defected graphenes, carbon nanotubes and fullerenes with group 6 (Cr, Mo, W) and group 8 (Fe, Ru, Os) metals M0, clusters Mn and complexes with organometallic groups OMG (metal tricarbonyls and MCp+) was systematically investigated by quantum chemistry methods. Structure, electronic properties (charge distribution, HOMO-LUMO gap) and thermodynamic data of dynamic processes in such systems (rotation, rearrangements, ligand inversions etc.) were calculated by DFT.