The role of the encapsulated atom in the vibrational spectra{cyrillic} of La@C60-Lu@C60 lanthanide endofullerenes

Computational and Theoretical Chemistry

Volumn 1054, Issue , 2015, Pages 100-108

  Krisilov, A V ^a   Nechaev, I V ^a   Kotova, A L ^a   Shikhaliev, Kh S ^a   Chernov, V E ^a   Zon, B A ^a  

^a VORONEZH STATE UNIVERSITY   (Russian Federation)

Author keywords

DFT calculation; Endofullerenes; Metal cage frequencies; Structure symmetry; Vibrational spectra

Indexed keywords

EID: 84921059232     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2014.11.016     Document Type: Article

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