Tudoran Marina Alexandra and Szabadai Zoltán: A statistical comparative study between the functions of alcohols and thiols using quantum chemistry methods.
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Abstract
Using the QSAR method, the present work aims to comparatively study the relationship between solubility (data from literature) and several physical and chemical parameters (computationally calculated) for two classes of analogue compounds, i.e. alcohols and their corresponding thiols. The obtained results show that there are significant differences between the ways in which solubility can be computationally determined for these two classes.
| Item Type: | Conference or Workshop Item |
|---|---|
| Journal or Publication Title: | Proceedings of the International Symposium on Analytical and Environmental Problems |
| Date: | 2022 |
| Volume: | 28 |
| ISBN: | 978-963-306-904-2 |
| Page Range: | pp. 370-374 |
| Language: | English |
| Place of Publication: | Szeged |
| Event Title: | 28th International Symposium on Analytical and Environmental Problems |
| Event Type: | Conference |
| Event Location: | Szeged |
| Event Dates: | 2022. november 14-15. |
| Related URLs: | https://acta.bibl.u-szeged.hu/78308/ |
| Uncontrolled Keywords: | Elektrokémia, Kvantumkémia |
| Additional Information: | Bibliogr.: 374. p. ; ill. ; összefoglalás angol nyelven |
| Subjects: | 01. Natural sciences 01. Natural sciences > 01.04. Chemical sciences |
| Date Deposited: | 2023. Mar. 24. 08:28 |
| Last Modified: | 2023. Mar. 24. 08:28 |
| URI: | http://acta.bibl.u-szeged.hu/id/eprint/78569 |
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