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Theoretical study of the structure and stability of (NaCl)2+

✍ Scribed by K.K. Sunil; K.D. Jordan

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
406 KB
Volume
143
Category
Article
ISSN
0009-2614

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✦ Synopsis

Electron correlation effects are shown to play a major role in determining the relative stability of the various forms of (NaCl),+. The DZh form of (NaCI): is found to be 0.64 eV more stable than the C,, structure. The NaJl+ Cl complexes investigated by other researchers are found not to be potential energy minima.

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