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Hydration of strongly basic anionites: Ab initio calculations

✍ Scribed by V. M. Zelenkovskii; T. V. Bez”yazychnaya; V. S. Soldatov


Book ID
111469038
Publisher
SP MAIK Nauka/Interperiodica
Year
2007
Tongue
English
Weight
204 KB
Volume
49
Category
Article
ISSN
1560-0904

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📜 SIMILAR VOLUMES


AB initio calculations on the hydration
✍ Shigeru Ikuta 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 371 KB

The energies of the hydrated I3r-ion for coordination numbers up to 4 hate been calculated with an ab initio hf0 method. The most favorable orientation is the ion-dipole one. in contrast to the H-bonded orientation for C17HaO) and F7HzO). The hydration energies cafcufa~ed in this study are in fair

Ab initio, semi-empirical, and classical
✍ K.G. Breitschwerdt; H. Kistenmacher 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 447 KB

## Recehd 15 Noxmber 1971 The energies of hydrated Iif, Na\*+, F-, 2nd Cl-ions ha.\= been calculated for coordination numbers up to 8. The resuits ofnb initio, ~c~li~rnpiljuf MO, and ciassinl methods are compared. The most probable, coordin3tioo numbers arid the corresponding orientation of the -x