Figure 2. Global IRC of the cycloreversion reaction of heterocycles and their formations, calculated at the level B3LYP/6-31G (d, p)


Cycloreversion of 4H-1,3-Thiazines and Selenazines Analogous: Theoretical Study by The Density Functional Theory (DFT) Method

Affoué Lucie Bédé, Soleymane Koné, Mawa Koné, Amon Benjamine Assoma, Kicho Denis Yapo, Boka Robert N’Guessan, El Hadji Sawaliho Bamba, Thomas Yao N’Guessan

Journal of Materials Physics and Chemistry. 2018, 6(1), 23-28 doi:10.12691/jmpc-6-1-4