Ab initio study of the C60 + Na system

Journal of Molecular Structure: THEOCHEM

Volumn 681, Issue 1-3, 2004, Pages 203-207

  Pitarch Ruiz, J ^a,b   Evangelisti, S ^a   Maynau, D ^a  

^a CNRS   (France)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

Ab initio CAS SCF calculations; Excited states; Fullerenes; Local orbitals; Na atom

Indexed keywords

CARBON; CARBON 60; ION; SODIUM DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; ATOM; BINDING AFFINITY; CALCULATION; CHEMICAL INTERACTION; ELECTRONICS; ENERGY; MATERIAL STATE; THEORY;

EID: 3543107395     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.05.021     Document Type: Article

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