Tables index

From

Theoretical Investigation of Two Antiabetics Drugs as Corrosion Inhibitors of Aluminium in 1.0 M HCl: Combining DFT and QSPR Calculations

Mougo André Tigori, Amadou Kouyaté, Assouma Dagri Cyrille, Victorien Kouakou, Paulin Marius Niamien

American Journal of Materials Science and Engineering. 2020, 8(1), 6-16 doi:10.12691/ajmse-8-1-2
  • Table 1. Inhibition efficiencies (IE%) of TB and GC at 298K
  • Table 2. Quantum chemical parameters of TB and GC calculated by B3LYP
  • Table 3. Mulliken atomic charges, Fukui functions and dual descriptor by B3LYP/6-31G(d) of TB
  • Table 4. Mulliken atomic charges, Fukui functions and dual descriptor by B3LYP/6-31G(d) of GC
  • Table 5. Values of coefficients A, B.D and E for different sets of three quantum chemical parameters of TB
  • Table 6. Values of coefficients A, B.D and E for different sets of three quantum chemical parameters of GC
  • Table 7. Different values of Statistical parameters of TB and GC