A simple computational approach for pKa calculation of organosulfur compounds
The present work is related to predicting the pKa values of organosulfur compounds through the density functional theory (DFT). In this study, 22 organosulfur compounds were considered to calculate the theoretical pKa values. The main emphasis was given on the substitution of different groups on the...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Serbian Chemical Society
2021-01-01
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| Series: | Journal of the Serbian Chemical Society |
| Subjects: | |
| Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2021/0352-51392000042A.pdf |