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Undissociated versus Dissociated Structures for Water Clusters and Ammonia−Water Clusters: (H 2 O) n and NH 3 (H 2 O) n −1 ( n = 5, 8, 9, 21). Theoretical Study

✍ Scribed by Karthikeyan, S.; Singh, N. Jiten; Kim, Kwang S.


Book ID
119961851
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
230 KB
Volume
112
Category
Article
ISSN
1089-5639

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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