Theoretical Studies of Solvent Effect on Normal Mode Analysis and Thermodynamic Properties of Zigzag (5, 0) Carbon Nanotube

Study of Bio-nano Interaction Outlook of Amino Acids on Single-walled Carbon Nanotubes

“…These solutions consisting of 5 ml nanotube in 50 ml amino acid, and the nanotube Downloaded by [Fondren Library, Rice University ] at 10:05 20 November 2014 volume was increased to 10,15,20,25,30,35,40,45, and 50 ml until 1/1 voluminal percent. All spectra were recorded at room temperature with a carry 5000 system.…”

“…Nanotubes can exist as a sheet formed of hexagons of carbon atoms, meaning rolled-up sheet of graphite; nanotubes have a variety of electronic properties that depend on detailed geometry and can be applied for a variety of applications. Nanotubes can be biocompatible with recognizing proteins after functionalization (17)(18)(19)(20)(21). Amino acids, the building blocks of protein, are one of the most significant biological groups that can be attached to nanotubes; these compounds can exist in two deferent forms, levorotatory (L) and dextrorotatory (D).…”

Functionalized Mesoporous Silica Nanoparticle for Levodopa Delivery: A Combination with SWCNTs

“…CNT is a cylindrically shaped carbon material with a nano-metric-level diameter. [16][17][18][19][20][21][22][23][24][25][26][27][28][29][30] Its structure, which is in the form of a hexagonal mesh, resembles a graphite sheet and it carries a carbon atom located on the vertex of each mesh. The sheet has rolled and its two edges have connected seamlessly.…”

First Principal and QM/MM Study of Dopamine Adsorption on Single Wall Carbon Nano Tubes and Single Wall Boroan Nitride Nano Tubes

“…However, the Fermi hole is a six-dimension function and thus difficult to be studied visually. Becke and Edgecombe noted that spherically averaged like spin conditional pair probability has a direct correlation with the Fermi hole and further suggested electron localization function (ELF) as: ELF(r) = ... (2) ... (5) So that ELF is totally independent of the wave-function and can be used to analyze electron density from X-ray diffraction data. It is clear that Tsirelson's ELF can also be used to analyze electron density from quantum chemistry calculation, though, it is not as good as the ELF defined by Becke owing its suitability to the approximation introduced in kinetic energy term; however, qualitative conclusions can still be recovered in general.…”