Density functional tight-binding studies of carbon nanotube structures

Structural Chemistry

Volumn 14, Issue 5, 2003, Pages 431-443

  Peralta Inga, Zenaida ^a   Boyd, Sylke ^a   Murray, Jane S ^a   O'Connor, Charles J ^a   Politzer, Peter ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

Carbon nanotubes; Density functional tight binding calculations (DFTB SCC); Structural properties

Indexed keywords

CARBON;

ATOM; BINDING SITE; CHIRALITY; COMPRESSION; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; ELASTICITY; ELECTRON; ENERGY; MATHEMATICAL COMPUTING; NANOTUBE; POISSON DISTRIBUTION; SEMICONDUCTOR; YOUNG MODULUS;

EID: 3543065376     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:STUC.0000004487.72835.13     Document Type: Conference Paper

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