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题名: Quantum chemical study of transition metal chromium-phosphorous binary clusters CrP4+ and CrP8+
作者: Wang, SF;  Feng, JK;  Sun, CC;  Gao, Z;  Kong, FA
关键词: chromium-phosphorous binary clusters ;  geometry ;  electronic structure
刊名: CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
发表日期: 2002-04-01
卷: 23, 期:4, 页:648-651
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 and relative stability of transition metal chromium-phosphorous clusters CrP4+ and CrP8+ are explored by means of density functional theory (DFT) quantum chemical a calculations (B3LYP). The most stable geometrical structure of CrP4+ and CrP8+ are obtained. The conclusion may be used to explain the relative laser photodissociation experiment.
关键词[WOS]: P-8
语种: 英语
WOS记录号: WOS:000175203800032
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139094
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,Sun, CC,et al. Quantum chemical study of transition metal chromium-phosphorous binary clusters CrP4+ and CrP8+[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2002,23(4):648-651.
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