DFT calculations of the structure and electronic properties of late 3d transition metal atoms endohedrally doping C60

Journal of Molecular Structure: THEOCHEM

Volumn 869, Issue 1-3, 2008, Pages 1-5

  Estrada Salas, Rubén E ^a   Valladares, Ariel A ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

DFT calculations; Endohedral metallofullerenes; Metal cage hybridization

Indexed keywords

EID: 54049120935     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.08.017     Document Type: Article

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