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- W2363676682 abstract "The density functional theory approaches B3LYP/LanL2DZ are used in the geometry optimizations and frequency calculation on PdSin(n=1~5) clusters with multiplities 1,3 and 5.The results show that PdSi_3 is the most stable.It can be concluded that the orbitals 4d of Pd play an important role in the formation of clusters and in cluster PdSi(s=0),Pd combines Si with triplet bonds." @default.
- W2363676682 created "2016-06-24" @default.
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- W2363676682 date "2006-01-01" @default.
- W2363676682 modified "2023-09-23" @default.
- W2363676682 title "Density Functional Theory Study of PdSi_n(n=1~5) Clusters" @default.
- W2363676682 hasPublicationYear "2006" @default.
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