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Ab initio, semi-empirical, and classical calculations of simple hydrated ions

โœ Scribed by K.G. Breitschwerdt; H. Kistenmacher

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
447 KB
Volume
14
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

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 -xster molecules arc discussed.

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