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题名: Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+
作者: Wang, SF;  Feng, JK;  Cui, M;  Ge, MF;  Sun, CC;  Gao, Z;  Kong, FA
关键词: vanadium-sulfide cluster ;  geometry ;  electronic structure
刊名: CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
发表日期: 1999-09-01
卷: 20, 期:9, 页:1447-1451
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
英文摘要: The possible geometrical structures of V2S2+, V3S4+ 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 stable geometries and electronic structures were obtained. The calculation may be used to explain the relative experimental results.
关键词[WOS]: EFFECTIVE CORE POTENTIALS ;  MOLECULAR CALCULATIONS ;  IONS ;  PHOTOLYSIS
语种: 英语
WOS记录号: WOS:000082562400029
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138582
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Wang, SF,Feng, JK,Cui, M,et al. Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,1999,20(9):1447-1451.
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