The coordination chemistry of carbon nanotubes: A density functional study through a cluster model approach

Journal of Physical Chemistry B

Volumn 106, Issue 41, 2002, Pages 10622-10633

  Nunzi, Francesca ^a   Mercuri, Francesco ^a   Sgamellotti, Antonio ^a   Re, Nazzareno ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF CHIETI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; ELECTRONIC PROPERTIES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; OPTIMIZATION; POLYCYCLIC AROMATIC HYDROCARBONS; PROBABILITY DENSITY FUNCTION; TRANSITION METAL COMPOUNDS;

CHIRAL VECTOR; CLUSTER MODEL APPROACH; COORDINATION CHEMISTRY; MOLECULAR FRAGMENTS; PLANAR AROMATIC SYSTEMS;

CARBON NANOTUBES;

EID: 0037126474     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026088f     Document Type: Article

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