Density functional based treatment of endohedrally hydrogen-doped fullerene, nH2@C60

Molecular Simulation

Volumn 34, Issue 9, 2008, Pages 821-828

  Ganji, M D ^a   Zare, K ^b,c  

^a Department of Electronic Engineer   (Iran)

^b SHAHID BEHESHTI UNIVERSITY   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

DFTB; Encapsulation; Endohedral complexes; Fullerenes; Hydrogen molecule

Indexed keywords

CHEMISORPTION; CHLORINE COMPOUNDS; DYNAMICS; FULLERENES; HYDROGEN; MOLECULAR DYNAMICS; MOLECULES; NANOSTRUCTURES; QUANTUM CHEMISTRY;

DFTB; ENCAPSULATION; ENDOHEDRAL COMPLEXES; HYDROGEN MOLECULE; HYDROGEN MOLECULES;

PROBABILITY DENSITY FUNCTION;

EID: 50549093924     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802331356     Document Type: Article

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