Determination of the pKa value of some 1,2,4-triazol derivatives in forty seven different solvents using semi-empirical quantum methods (PM7, PM6, PM6-DH2, RM1, PM3, AM1, and MNDO) by MOPAC computer program
Authors
Fatih İslamoğlu
Department of Chemistry, Recep Tayyip Erdoğan University, Rize, Türkiye
Naciye Erdoğan
Department of Chemistry, Recep Tayyip Erdoğan University, Rize, Türkiye
Esra Hacifazlioğlu
Department of Environmental Protection, Technologies Recep Tayyip Erdoğan University, Rize, Türkiye
DOI: https://doi.org/10.2478/auoc-2023-0008 | Journal eISSN: 2286-038X (formerly 1223-7221) | Journal ISSN: 1583-2430 (formerly 1223-7221)
Language: English
Page range: 50 - 62
Submitted on: Mar 10, 2023
Accepted on: May 31, 2023
Published on: Jul 5, 2023
Published by: Ovidius University of Constanta
In partnership with: Paradigm Publishing Services
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© 2023 Fatih İslamoğlu, Naciye Erdoğan, Esra Hacifazlioğlu, published by Ovidius University of Constanta
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.