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Ovidius University Annals of Chemistry
Volume 34 (2023): Issue 1 (January 2023)
Open Access
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
Fatih İslamoğlu
Fatih İslamoğlu
,
Naciye Erdoğan
Naciye Erdoğan
and
Esra Hacifazlioğlu
Esra Hacifazlioğlu
| Jul 05, 2023
Ovidius University Annals of Chemistry
Volume 34 (2023): Issue 1 (January 2023)
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Published Online:
Jul 05, 2023
Page range:
50 - 62
Received:
May 26, 2023
Accepted:
May 31, 2023
DOI:
https://doi.org/10.2478/auoc-2023-0008
Keywords
pKa
,
1,2,4-triazole
,
semi-empirical quantum method
,
MOPAC computer program
© 2023 Fatih İslamoğlu et al., published by Sciendo
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.
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