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Study of the structure and stability of aqua complexes Y(H2O)n3+(n= 1–10) by Ab initio methods

✍ Scribed by V. Yu. Buz’ko; I. V. Sukhno; M. B. Buz’ko; A. A. Polushin; V. T. Panyushkin

Book ID
110180389
Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
204 KB
Volume
51
Category
Article
ISSN
0036-0236

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The structure and stability of Na(H,O),, and Na(NH,). (n= 1-6) have been calculated at the HF/3-21G level. For n24 Na(HIO), is a surface complex, where Na atom tends to be situated on the surface of (H,O), cluster. Na(NI-$), is an inclusion complex where Na is surrounded by NH3 molecules. Water-wate