Tables index

From

Substituent Effect on Intramolecular Hydrogen Bond and Electronic Structure of E)-2-(1H-Benzo[D]Imidazol-2-Yl)-3-Phenylacrylonitrile Derivatives: QTAIM and NBO Study

Adenidji Ganiyou, Kicho Denis Yapo, Doumadé Zon, Mamadou Guy-Richard Kone, Boka Robert N’guessan

Journal of Materials Physics and Chemistry. 2019, 7(1), 8-19 doi:10.12691/jmpc-7-1-2
  • Table 1. Second order perturbations energies E2 (kcal/mol) for intramolecular transitions in A1-A10 molecules
  • Table 2. Second order perturbations energies E2 (kcal/mol) for intramolecular transitions in A11-A20 molecules
  • Table 3. Energy Contributions (kcal/mol) From Orbital Interactions According to the Inductive and Mesomeric Effect of substituent
  • Table 4. Topological parameters (r) (ea0-3)2(r)(ea0-5) G, V, H, L (au) selected at BCPs of intramolecular hydrogen bonds of benzimidazoles and their derivatives
  • Table 5. Geometrical parameters, interaction energies (kcal / mol) and observed transitions for intramolecular hydrogen bonds