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An ab initio study of the anionic clusters Cl –(HF) n ( n = 1–5)

By performing ab initio calculations several stationary points on the potential energy surfaces of the anionic clusters Cl–(HF) n ( n = 1–5) were characterised with a special emphasis on the competition between interior and surface structures.

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Bibliographic Details
Published in:Mendeleev communications 1999, Vol.9 (6), p.215-217
Main Authors: Nemukhin, Aleksandr V., Granovsky, Aleksandr A., Firsov, Denis A.
Format: Article
Language:English
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Summary:By performing ab initio calculations several stationary points on the potential energy surfaces of the anionic clusters Cl–(HF) n ( n = 1–5) were characterised with a special emphasis on the competition between interior and surface structures.
ISSN:0959-9436
DOI:10.1070/MC1999v009n06ABEH001153