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Structure and thermodynamic properties of small rare-gas clusters

✍ Scribed by de Muyter, P. ;Djafari-Rouhani, B. ;Vénnik, J.


Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
353 KB
Volume
59
Category
Article
ISSN
0031-8965

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Small Sin and Al, clusters (n = 3-10) were studied with the semiempirical molecular orbital method (MO) method SINDO1. For each n, various structures were optimized to determine the most stable structure. To obtain good qualitative agreement with available ab initio calculations d orbitals had to be