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- W1521934530 abstract "The density functional theory B3LYP/6-311g* method is used in the geometry optimization and frequency calculation on Si4X (X = Li, Be, B, C, N, O, F) clusters. The equilibrium structures of these clusters are quasi-trigonal bipyramidal structures with C2v symmetry. The periodicity of their thermal stabilities and vibration spectra has been discussed. The influence of the inserted second period element impurities for the structures and stabilities of the Si5 clusters have also been investigated." @default.
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- W1521934530 date "2004-01-01" @default.
- W1521934530 modified "2023-09-23" @default.
- W1521934530 title "Theoretical Study on the Structure and Stability of Si4X（X=Li, Be, B, C, N, O, F） Clusters" @default.
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