Electronic and magnetic properties of endohedrally doped fullerene Mn@ C60: A total energy study

Journal of Chemical Physics

Volumn 128, Issue 7, 2008, Pages

  Li, Guangping ^a   Sabirianov, R F ^a   Lu, Jing ^a,b   Zeng, X C ^c   Mei, W N ^a  

^a UNIVERSITY OF NEBRASKA AT OMAHA   (United States)

^b PEKING UNIVERSITY   (China)

^c UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; MAGNETIC PROPERTIES; MANGANESE; OPTIMIZATION;

GRADIENT APPROXIMATION; HYBRIDIZATION;

FULLERENES;

EID: 39749095217     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2828535     Document Type: Article

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