In this study, the twelve new modeled N-substituted-6-acylbenzothiazolon derivatives having analgesic analog structure have been investigated by quantum chemical methods using a lot of electronic parameters and structure-activity ...

The ground state (mu(g)) and excited state (mu(e)) dipole moments of 7-acetoxy-6-(2,3-dibromopropyl)-4,8-dimethylcoumarin (abbreviated as 7ADDC) are estimated from solvatochromic shifts of absorption and fluorescence spectra ...

The UV-vis and fluorescence spectra of four monoazo dye derivatives were investigated in the solvents with different polarities. Characterization of UV-vis electronic bands is specified by calculating charge transfer energy ...

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 electronic absorption spectra of four azo dyes with different substituents (such as Cl, I, OH) are determined at room temperature in twenty-one solvents with different polarities. The electronic transitions of azo dyes ...

The acid dissociation constants of twelve novel drug precursor N-substituted-6-acylbenzothiazolone derivatives were determined by using the UV-vis spectroscopic technique. The protonation and deprotonation behaviors of the ...

The electronic absorption spectra of a series of azo dye compounds containing -Cl, -SO(3)H and -OH groups were recorded in twenty one solvents with different polarities. The solvents were selected to cover a wide range of ...

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 ...