PhD Dissertation Discusses Theoretical Calculation of pKa Values Using Computational Chemistry

2026-06-14T06:15:04+00:00

The Department of Chemistry at the College of Science, University of Mosul, discussed on Thursday, 11 June 2026, a PhD dissertation entitled: “Ab Initio and Molecular Correlation Study of Electronic and Thermodynamic Effects in the Calculation of pKa Values” submitted by PhD candidate Aswan Najah Al-Din Abdul Hussein Ali. Part of the dissertation defense was attended by the Dean of the College of Science, Prof. Dr. Hiyam Adel Ibrahim. The dissertation aimed to investigate a number of azole-based pharmaceutical compounds and to calculate their pKa values theoretically, followed by a comparison with experimentally determined values. The study consisted of five major [Read More]