Han Juguang, Li Junqing, He Tianjing, Liu Fanzhen, Zhang Yunwu. SCC-DV-Xα Computation Study of SinSem Cluster[J]. Chinese Journal of Chemical Physics , 1993, 6(6): 528-533.
Citation:
Han Juguang, Li Junqing, He Tianjing, Liu Fanzhen, Zhang Yunwu. SCC-DV-Xα Computation Study of SinSem Cluster[J]. Chinese Journal of Chemical Physics , 1993, 6(6): 528-533.
Han Juguang, Li Junqing, He Tianjing, Liu Fanzhen, Zhang Yunwu. SCC-DV-Xα Computation Study of SinSem Cluster[J]. Chinese Journal of Chemical Physics , 1993, 6(6): 528-533.
Citation:
Han Juguang, Li Junqing, He Tianjing, Liu Fanzhen, Zhang Yunwu. SCC-DV-Xα Computation Study of SinSem Cluster[J]. Chinese Journal of Chemical Physics , 1993, 6(6): 528-533.
In this paper, We calculate the binding energy, orbital energy, charge distribution and density of states of （RSi）4Se6, （RSi）2Se3 and R4Si3Se4 clusters by SCC-DV-Xα method, and analyze the stability, NMR chemical shift, Vis-ultra absorption and catalysis activity of clusters, The results agree with the experiments.
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