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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| Datum: | 2025 |
|---|---|
| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
V.I.Vernadsky Institute of General and Inorganic Chemistry
2025
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| Online Zugang: | https://ucj.org.ua/index.php/journal/article/view/707 |
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| Назва журналу: | Ukrainian Chemistry Journal |