Broken symmetry approach and chemical susceptibility of carbon nanotubes

International Journal of Quantum Chemistry

Volumn 110, Issue 8, 2010, Pages 1466-1480

  Sheka, Elena F ^a   Chernozatonskii, Leonid A ^b  

^a PEOPLES FRIENDSHIP UNIVERSITY OF RUSSIA   (Russian Federation)

^b EMANUEL INSTITUTE OF BIOCHEMICAL PHYSICS   (Russian Federation)

Author keywords

Broken symmetry unrestricted Hartree Fock approximation; Carbon nanotubes; Chemical susceptibility; Effectively unpaired electrons; Semiempirical quantum chemistry

Indexed keywords

BROKEN SYMMETRY; SEMI-EMPIRICAL; UNPAIRED ELECTRONS; UNRESTRICTED HARTREE-FOCK;

ADDITION REACTIONS; ELECTRON TRANSPORT PROPERTIES; HARTREE APPROXIMATION; HYDROFLUORIC ACID; MOLECULAR PHYSICS; QUANTUM CHEMISTRY; QUANTUM THEORY; SURFACE STRUCTURE;

CARBON NANOTUBES;

EID: 77951562170     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22286     Document Type: Article

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