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• W2361166084 abstract "Structures and harmonic vibrational frequencies for the Si5H3,Si5H6,Si5Li3 and Si5Na3 clusters have been investigated in this paper at the B3LYP/6-311G+(2d)level using Gaussian-94 program.It indicates that the three silicon atoms,which are in the same trigonal plane of the most stable structure with D3h symmetry for Si5 cluster,have surplus bonding abilities.Thus,they can bond with three hydrogen,lithium,and sodium atoms and six hydrogen atoms to form four stable compounds,i.e.,Si5H3,Si5H6,Si5Li3,and Si5Na3.Although the hydrogen,lithium,and sodium atoms are in the same main group,they bond with the silicon atoms of the Si5 cluster by different ways,and the additions also have various influences on the trigonal bipyramid structure of Si5." @default.
• W2361166084 created "2016-06-24" @default.
• W2361166084 creator A5089081309 @default.
• W2361166084 date "2003-01-01" @default.
• W2361166084 modified "2023-09-25" @default.
• W2361166084 title "Theoretical studies of Si_5H_3,Si_5H_6,Si_5Li_3,and Si_5Na_3 cluster" @default.
• W2361166084 hasPublicationYear "2003" @default.
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