Computational Studies on the Molecule 1-(2-Hydroxyethyl)-5-Fluorouracil in Gas Phase and Aqueous Solution and Prediction of Its Confinement inside Capped Nanotubes

<p>(a) 2D projection of capped nanotubes SWCNT(12,0), SWCNT(14,0), and SWCNT(16,0). (b) The molecular geometrical structure of the studied molecule in gas phase. (c) The optimized hybrid nanostructures by the confinement of the studied molecule inside nanotube cavities of capped SWCNT(12,0), SWCNT(14,0), and SWCNT(16,0).</p>

Advances in Condensed Matter Physics

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Figure 1: Computational Studies on the Molecule 1-(2-Hydroxyethyl)-5-Fluorouracil in Gas Phase and Aqueous Solution and Prediction of Its Confinement inside Capped Nanotubes 

Figure 1 | Computational Studies on the Molecule 1-(2-Hydroxyethyl)-5-Fluorouracil in Gas Phase and Aqueous Solution and Prediction of Its Confinement inside Capped Nanotubes 