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Interaction of Ca2+ with uracil and its thio derivatives in the gas phase

✍ Scribed by Trujillo, Cristina; Lamsabhi, Al Mokhtar; Mó, Otilia; Yáñez, Manuel; Salpin, Jean-Yves

Book ID
118737883
Publisher
Royal Society of Chemistry
Year
2008
Tongue
English
Weight
303 KB
Volume
6
Category
Article
ISSN
1477-0520

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Association of Cu2+ with Uracil and Its
Association of Cu2+ with Uracil and Its Thio Derivatives: A Theoretical Study
✍ Al Mokhtar Lamsabhi; Manuel Alcamí; Otilia Mó; Manuel Yáñez; Jeanine Tortajada 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 273 KB

## Abstract __The structures and relative stabilities of the complexes between Cu__^__2+__^ __and uracil, 2‐thiouracil, 4‐thiouracil, and 2,4‐dithiouracil were investigated by B3LYP/6‐311+G(2df,2p)//B3LYP/6‐31G\* DFT calculations. In those systems in which both types of basic centers, that is, a ca