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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
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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