ICCAS OpenIR
Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3)
Wang, SF; Feng, JK; Cui, M; Sun, CC; Gao, Z; Kong, FA
1999-12-01
Source PublicationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN0251-0790
Volume20Issue:12Pages:1931-1935
AbstractThe 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.
KeywordCobalt-sulfide Cluster Geometrical Structure Electronic Structure
Indexed BySCI
Language英语
WOS IDWOS:000084320500024
PublisherHIGHER EDUCATION PRESS
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/75376
Collection中国科学院化学研究所
Corresponding AuthorFeng, JK
AffiliationChinese Acad Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100080, Peoples R China
Recommended Citation
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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