Resumen

AL-ANBER, M. Theoretical Investigation of Carbon Nanotubes as Nano Test-tube. Rev Cub Quim [online]. 2016, vol.28, n.3, pp.793-804. ISSN 2224-5421.

The quantum calculations (MINDO/3) performed on the structural properties of the CNTs upon adsorption of several glycine and butyric acid radicals. The N-centered glycine and the butyric acid (C1-centered) radicals have most stable complexes with CNT.The diameter and length of the CNT on the anti-binding energies between these two biomolecules with the CNTs show a decrease as the CNT diameter increases while the binding energies increase with CNT length increase. The N-centered glycine radicals prefer to bond at the end of the CNTs while the fatty acid molecules prefer that at the middle of the inside surface of the CNT.

Palabras clave : nanotubes; semi-empirical methods; interaction; biomolecules.

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