Theoretical study of silicon–sulfur clus
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Su-Fan Wang; Ji-Kang Feng; Chia-Chung Sun; Peng Liu; Zhen Gao; Fan-Ao Kong
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Article
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2001
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John Wiley and Sons
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English
⚖ 312 KB
👁 2 views
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