Density functional theory based treatment of amino acids adsorption on single-walled carbon nanotubes

Diamond and Related Materials

Volumn 18, Issue 4, 2009, Pages 662-668

  Ganji, M D ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Ab initio calculations; Adsorption; Amino acids; DFTB; DFTB MD; Nanotube devices

Indexed keywords

ADSORPTION; AMINATION; AMINES; AMINO ACIDS; CARBON MONOXIDE; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DYNAMICS; MOLECULAR DYNAMICS; NANOCOMPOSITES; NANOTUBES; ORGANIC ACIDS; PROGRAMMING THEORY; SINGLE-WALLED CARBON NANOTUBES (SWCN);

AB INITIO CALCULATIONS; C-C BONDS; DENSITY FUNCTIONAL; DFTB; DFTB-MD; NANOTUBE DEVICES; NANOTUBE SURFACES; NON IONICS; ROOM TEMPERATURES; SIDE CHAINS; SINGLE-WALLED CARBONS; TIGHT-BINDING MOLECULAR DYNAMICS;

CARBON NANOTUBES;

EID: 60349116407     PISSN: 09259635     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.diamond.2008.11.021     Document Type: Article

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