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Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3)
Wang, SF; Feng, JK; Cui, M; Sun, CC; Gao, Z; Kong, FA
关键词Cobalt-sulfide Cluster Geometrical Structure Electronic Structure
刊名CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
1999-12-01
20期:12页:1931-1935
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Multidisciplinary
研究领域[WOS]Chemistry
关键词[WOS]IONS ; HYDRODESULFURIZATION ; PHOTODISSOCIATION ; PHOTOLYSIS ; CATALYSTS
英文摘要The possible geometrical structures of Co2S+, Co3S2+ clusters were optimized using the methods of ab initio Molecular Orbital Unrestricted or Restricted Hartree-Fock (UHF, RHF) and Density Function Theory (DFT). The corresponding most stable geometrical structure for Co2S+ and Co3S2+ are found to be C,symmetry respectively, The electronic structures and vibrational spectrum of the most stable geometrical structures of Co2S+, Co3S2+ are analyzed by the same method. As the result, the calculation can be used for explaining the mechanism of bond forming for the Cobalt-Sulfur cluster.
语种英语
WOS记录号WOS:000084320500024
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被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/138620
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100080, Peoples R China
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GB/T 7714
Wang, SF,Feng, JK,Cui, M,et al. Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3)[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,1999,20(12):1931-1935.
APA Wang, SF,Feng, JK,Cui, M,Sun, CC,Gao, Z,&Kong, FA.(1999).Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3).CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,20(12),1931-1935.
MLA Wang, SF,et al."Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3)".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 20.12(1999):1931-1935.
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