Endohedral metallofullerenes containing lanthanides: A robust yet simple computational approach

Journal of Physical Chemistry C

Volumn 117, Issue 24, 2013, Pages 12916-12921

  Aparicio Anglès, Xavier ^a   Alegret, Núria ^a   Clotet, Anna ^a   Rodríguez Fortea, Antonio ^a   Poblet, Josep M ^a  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; CERIUM NITRIDE; COMPUTATIONAL APPROACH; COULOMB REPULSIONS; ENDOHEDRAL METALLOFULLERENES; PSEUDOPOTENTIALS; QUALITATIVE PREDICTIONS; RELATIVE ABUNDANCE;

CHROMATOGRAPHIC ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FULLERENES; NITRIDES;

RARE EARTH ELEMENTS;

EID: 84879457322     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4039623     Document Type: Article

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