Theoretical studies on thiabenzene and its fused derivatives: DFT and ab initio computations

Ylide character and stability of heterocyclic benzenes

“…Following our work on thiopyrans [25,26], here we take up the comparison of ylidic character and stability in heterocyclic benzenes.…”

<b>DFT calculations on 1,4-dithiine and S-oxygenated derivatives</b>

“…Among cyclohexadiene, the dithiine and its derivatives have extensively been studied [7][8][9][10]. In follow up on our works [11][12][13], we are especially interested to study of optimized conformations of 1,4-dithiine and S-oxygenated derivatives.…”