Theoretical investigations on the functionalization of carbon nanotubes

Inorganica Chimica Acta

Volumn 360, Issue 3, 2007, Pages 785-793

  Mercuri, Francesco ^a   Sgamellotti, Antonio ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

Author keywords

Carbon nanotubes; Defects; Density functional theory; Functionalization; Molecular dynamics

Indexed keywords

CARBON NANOTUBES; DEFECTS; METAL COMPLEXES; MOLECULAR DYNAMICS; MOLECULAR MODELING; ORGANOMETALLICS; QUANTUM THEORY; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

CHEMICAL FUNCTIONALIZATION; DENSITY FUNCTIONAL THEORY METHODS; FUNCTIONALIZATION PROCESS; FUNCTIONALIZATIONS; GAS SENSING DEVICES; ORGANOMETALLIC CHEMISTRY; QUANTUM MECHANICS/MOLECULAR MECHANICS; THEORETICAL INVESTIGATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 33846188962     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2006.07.066     Document Type: Review

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