A statistical comparative study between the functions of alcohols and thiols using quantum chemistry methods

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 r...

Teljes leírás

Elmentve itt :
Bibliográfiai részletek
Szerzők: Tudoran Marina Alexandra
Szabadai Zoltán
Testületi szerző: 28th International Symposium on Analytical and Environmental Problems
Dokumentumtípus: Könyv része
Megjelent: 2022
Sorozat:Proceedings of the International Symposium on Analytical and Environmental Problems 28
Kulcsszavak:Elektrokémia, Kvantumkémia
Tárgyszavak:
Online Access:http://acta.bibl.u-szeged.hu/78569
Leíró adatok
Tartalmi kivonat: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.
Terjedelem/Fizikai jellemzők:370-374
ISBN:978-963-306-904-2