Density Functional Theory and Density Functional Tight Binding Studies of Thiamine Hydrochloride Hydrates

Thiamine hydrochloride (THCL), also known as vitamin B<sub>1</sub>, is an active pharmaceutical ingredient (API), present on the list of essential medicines developed by the WHO, which proves its importance for public health. THCL is highly hygroscopic and can occur in the form of hydrat...

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Bibliographic Details
Main Authors: Ewa Napiórkowska, Łukasz Szeleszczuk, Katarzyna Milcarz, Dariusz Maciej Pisklak
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/28/22/7497