Ab initio Hartree–Fock and density functional theory investigations on the conformational stability, molecular structure and vibrational spectra of 3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3H)-one

Quantum chemical studies on acidity–basicity behaviours of some substituted pyridine derivatives

A theoretical study on protonation of some halogen substituted pyridine derivatives

Determination and Evaluation of Acid Dissociation Constants of Some Substituted 2-Aminobenzothiazole Derivatives

A theoretical study of substituent effects on tautomerism of 2-hydroxybenzimidazoles

Quantum chemical studies on the tautomerism of some potentially tautomeric aminoindazole derivatives