First principles calculations of alanine radicals adsorbed on pristine and functionalized carbon nanotubes

Journal of Physical Chemistry C

Volumn 112, Issue 38, 2008, Pages 14812-14815

  Carneiro, M A ^a   Venezuela, P ^a   Fagan, Solange B ^b  

^a FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

^b CENTRO UNIVERSITÁRIO FRANCISCANO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; NANOCOMPOSITES; NANOPORES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTUBES; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; SINGLE-WALLED CARBON NANOTUBES (SWCN);

AB-INITIO CALCULATIONS; AMINE GROUPS; C ATOMS; DENSITY-FUNCTIONAL; FIRST-PRINCIPLES CALCULATIONS; FUNCTIONALIZED; FUNCTIONALIZED CARBON NANOTUBES; SINGLE-WALLED CARBON;

CARBON NANOTUBES;

EID: 53849089932     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp803512b     Document Type: Article

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