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Theoretical Study of Aln and AlnO (n = 2—10) Clusters

✍ Scribed by Jiao Sun; Wen Cai Lu; Hong Wang; Ze-Sheng Li; Chia-Chung Sun


Publisher
John Wiley and Sons
Year
2006
Weight
8 KB
Volume
37
Category
Article
ISSN
0931-7597

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The possible geometrical structures and relative stability of silicon-sulfur clusters (SiS 2 ) (n = 1-6) are explored by means of density functional theory (DFT) quantum chemical calculations. We also compare DFT with second-order Møller-Plesset (MP2) and Hartree-Fock (HF) methods. The effects of po