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Theoretical study of silicon–sulfur clusters (SiS2)n (n = 1–6)

✍ Scribed by Su-Fan Wang; Ji-Kang Feng; Chia-Chung Sun; Peng Liu; Zhen Gao; Fan-Ao Kong


Book ID
105887299
Publisher
Springer
Year
2001
Tongue
English
Weight
278 KB
Volume
106
Category
Article
ISSN
1432-2234

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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

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