Hydration of the ions Al3+ and Cu2+. An
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H. Veillard; J. Demuynck; A. Veillard
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Article
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1975
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Elsevier Science
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English
β 508 KB
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