Table 4. Local reactivity descriptors of compound Thz3 calculated using natural population analysis (NPA) at the DFT/ B3LYP/6-31+G (d, p) level

From

Theoretical Study of Reactivity and Stability of a Thiazine Derivative Series by the Density Functional Theory (DFT) Method

Tuo Nanou Tiéba, Kouman Koffi Charles, Dembélé Georges Stéphane, Konaté Bibata, Soro Doh, Kodjo Charles Guillaume, Ziao Nahossé

Journal of Materials Physics and Chemistry. 2023, 11(1), 1-7 doi:10.12691/jmpc-11-1-1