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QUANTUM-CHEMICAL CALCULATIONS OF CURCUMIN AND SOME METAL COMPLEXES BASED ON IT

Using the semi-empirical PM7 method in combination with the SPARKLE model, the structure of isomeric forms and the energetics of conformational and tautomeric transformations of the curcumin molecule were calculated, the geometry of the ligandand transition metal complexes (Zn(II), Dy(III), Ag(I)) b...

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Bibliographic Details
Date:2025
Main Authors: Horbenko , Artur, Trunova , Olena
Format: Article
Language:English
Published: V.I.Vernadsky Institute of General and Inorganic Chemistry 2025
Online Access:https://ucj.org.ua/index.php/journal/article/view/707
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Journal Title:Ukrainian Chemistry Journal

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Ukrainian Chemistry Journal

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