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BUTYRIC ACID INTERACTION WITH CARBON NANOTUBES: MODELING BY A SEMI-EMPIRICAL APPROACH.

The quantum interaction properties of the butyric acid radical on the side walls of the single walled carbon nanotubes (CNT) are modeled by PM3 calculations. It is found that the interaction potential of the butyric acid with the tubes forms stable complexes when it reacts with the carbon atom (C³-c...

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Publicado en:Revista Cubana de Física Vol. 30; no. 2; pp. 72 - 77
Autor principal: AL-ANBER, M. J.
Formato: Artículo
Publicado: Universidad de La Habana 2013
Materias:
Carbon nanotubes
Binding energy
Electronic structure
Butyric acid
Fatty acids
Atoms
Metastable states
Acceso en línea:Ver este registro en EBSCOhost