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Structures, Energetics, and Spectra of Cl - (H 2 O) n Clusters, n = 1−6: Ab Initio Study

✍ Scribed by Masamura, M.


Book ID
126330158
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
145 KB
Volume
106
Category
Article
ISSN
1089-5639

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Structures, stabilities and ionization p
✍ Kenro Hashimoto; Shaoren He; Keiji Morokuma 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 672 KB

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