Tables index

From

A Comparative DFT Study of the Chemical Reactivity of Diastereoisomers Cis/trans Clovamides and Derivatives, Isolated from icacina mannii

N’guessan Kan Lucien Yao, Doh Soro, Kouakou Nobel N’Guessan, Anoubilé Benié, Stephane Dembele, Philomène Akoua Kouassi-Yao, Nahosse Ziao

Journal of Materials Physics and Chemistry. 2025, 13(1), 8-15 doi:10.12691/jmpc-13-1-2
  • Table 1. Designations of the studied Clovamides and derivatives
  • Table 2. Electronic properties of Clovamides and derivatives (HOMO, LUMO and energy gap)
  • Table 3. Global reactivity indices of Clovamides and derivatives
  • Table 4. f+Ai values of the most electrophilic sites of the studied Clovamides and derivatives
  • Table 5. ΔƒAi values of the most electrophilic sites of the studied Clovamides and derivatives
  • Table 6. ƒ-Ai and ΔƒAi values of the most nucleophilic sites of the studied Clovamides and derivatives
  • Table 7. ƒ-Ai and ΔƒAi values of the most nucleophilic site O26 of the studied Clovamides and derivatives, for ranking purpose
  • Table 8. f° Ai values of the most favorable sites to radical attacks of the studied Clovamides and derivatives