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A Theoretical Study on Decomposition Pathways of N+7 and N-7 Clusters.

✍ Scribed by Qian Shu Li; Jun Fang Zhao


Publisher
John Wiley and Sons
Year
2010
Weight
28 KB
Volume
33
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 MΓΈller-Plesset (MP2) and Hartree-Fock (HF) methods. The effects of po