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Solvation and chemical reaction of sodium in water clusters

✍ Scribed by Bobbert, C.; Schulz, C.P.


Book ID
113056022
Publisher
Springer
Year
2001
Tongue
English
Weight
212 KB
Volume
16
Category
Article
ISSN
1434-6060

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We have studied the structure and energetics of halide anion-water clusters X-(H,O),, X&I, Br, I, and n= l-6 by ab initio molecular orbital calculations at the MP2 level. Information on energy-structure relationships emerged from the calculated ionization potentials, which are in good agreement with