In this work, electronic properties and structure-activity relationship (SAR) parameters of 20 novel drug precursor 6-acylbenzothiazolon derivatives with analgesic activity have been investigated theoretically by performing ...

The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and 6-311G(d,p) basis ...