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Fluoro complexes of hexavalent uranium—IV Complexes of the series [UO2F3]− and [(UO2)2F5]−

✍ Scribed by M.C. Chakravorti; N. Bandyopadhyay

Book ID
118909387
Publisher
Elsevier Science
Year
1972
Weight
477 KB
Volume
34
Category
Article
ISSN
0022-1902

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QM/MM study of aqueous solvation of the
QM/MM study of aqueous solvation of the uranyl fluoride [UO2F] complex
✍ Ivan Infante; Lucas Visscher 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 146 KB 👁 1 views

## Abstract The aqueous solvation of the uranylfluoride complex [UO~2~F] was studied using full quantum mechanical (QM) and hybrid QM/molecular mechanics (MM) methods. Inclusion of a complete first solvation shell was found necessary to reproduce the experimentally observed heptacoordination of ura