Ah initlo calculations are reported For the systems .ti(H20)~' and Cu(H~0)z' with n up to 7. Tine cdcul2ted binding ene&s increase monotically up 10 ,I = 6, v&h equal binding energ& for IL = 6 2nd 7 foi Z& Al"'cation. AR estimate of the enihalpy of hydration of M3' \_ IS given, based on model calcuh
✦ LIBER ✦
Ab initio SCF study of OHO3− system and its relation to the structure of α-Al2O3:OHO3−(Me2+)
✍ Scribed by H. Blum; R. Frey; Hs.H. Günthard; Tae-Kyu Ha
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 616 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0301-0104
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