Molecular orbital treatment of some endohedrally doped C60 systems

Polycyclic Aromatic Compounds

Volumn 26, Issue 2, 2006, Pages 145-162

  Türker, Lemi ^a   Gümüs, Selçuk ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

Ab initio; C60 systems; DFT; Endohedral doping; Fullerenes

Indexed keywords

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); SPIN DYNAMICS;

AB INITIO; AB INITIO CALCULATIONS; C 60; C60 SYSTEM; DENSITY-FUNCTIONAL-THEORY; DFT; ENDOHEDRAL DOPING; ENERGY; SPIN STATE; THEORETICAL STUDY;

MOLECULAR ORBITALS;

EID: 33646709677     PISSN: 10406638     EISSN: 15635333     Source Type: Journal    
DOI: 10.1080/10406630600642444     Document Type: Review

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