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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 Cover

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

Ovidius University Annals of Chemistry
Volume 34 (2023): Issue 1 (January 2023)
By: Fatih İslamoğlu,  Naciye Erdoğan and  Esra Hacifazlioğlu  
Open Access
|Jul 2023

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 | Journal ISSN: 1583-2430
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Language: English
Page range: 50 - 62
Submitted on: May 26, 2023
Accepted on: May 31, 2023
Published on: Jul 5, 2023
Published by: Ovidius University of Constanta
In partnership with: Paradigm Publishing Services
Publication frequency: 2 issues per year
Keywords:
pKa,
1,2,4-triazole,
semi-empirical quantum method,
MOPAC computer program
Related subjects:
Chemistry,
Chemistry, other

© 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.

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