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Condensed tetrakaidecahedral clusters. The crystal structure of NiTa8Se8

โœ Scribed by Conrad, Matthias; Harbrecht, Bernd


Book ID
122357109
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
888 KB
Volume
197
Category
Article
ISSN
0925-8388

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The equilibrium geometries of selenium clusters Ser to Se, have been calculated. The total energy is determined for each geometry using a parameter-free density functional method, and the most prominent low-energy structures are found using combined molecular dynamics and simulated annealing techniq