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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 | |
| 1999-12-01 | |
| Source Publication | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| ISSN | 0251-0790 |
| Volume | 20Issue:12Pages:1931-1935 |
| Abstract | 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. |
| Keyword | Cobalt-sulfide Cluster Geometrical Structure Electronic Structure |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000084320500024 |
| Publisher | HIGHER EDUCATION PRESS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.iccas.ac.cn/handle/121111/75376 |
| Collection | 中国科学院化学研究所 |
| Corresponding Author | Feng, JK |
| Affiliation | Chinese 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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