Table 3. Electron Densities (ρ). Laplacian of Electron Densities (▼2ρ) for Interaction of CNT and DNTs with CO Molecule Table 3. Electron Densities (ρ). Laplacian of Electron Densities (▼2ρ) for Interaction of CNT and DNTs with CO Molecule Table 3. Electron Densities (ρ). Laplacian of Electron Densities (▼2ρ) for Interaction of CNT and DNTs with CO Molecule Table 3. Electron Densities (ρ). Laplacian of Electron Densities (▼2ρ) for Interaction of CNT and DNTs with CO Molecule Table 3. Electron Densities (ρ). Laplacian of Electron Densities (▼2ρ) for Interaction of CNT and DNTs with CO Molecule Table 3. Electron Densities (ρ). Laplacian of Electron Densities (▼2ρ) for Interaction of CNT and DNTs with CO Molecule
Complex ρ (e/a03) 2ρ (e/a05) Complex ρ (e/a03) 2ρ (e/a05)
CNT-d 2.23×10-1 1.84×10-2 CNT-p 6.79×10-3 3.10×10-1
SCNT-d 1.78×10-1 4.21×10-2 SCNT-p 4.09×10-2 1.39×10-1
NCNT-d 1.21×10-1 5.92×10-1 NCNT-p 5.48×10-2 8.76×10-2
BCNT-d 7.11×10-3 2.39×10-2 BCNT-p 6.05×10-3 1.76×10-2