Abstract: A promising new development in therapeutic nanomedicine includes drug and biomolecule delivery system using carbon nanotubes dispersed in surfactant, such as glycolipid. To study the interaction between carbon nanotube and surfactant, here we report on a density functional theory (DFT) calculation at the B3LYP/6-31G level of theory performed for the purpose of predicting the reactivity governing the nucleophilic and electrophilic attacks on the external surface of a single-walled carbon nanotube (SWNTs). The DFT-based local reactivity descripto...
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Topics: 
Computational chemistry
Nanotechnology