Theoretical studies on the structures of Ti3P6+ cluster
文献类型：期刊论文
| 作者 | Pan, GB; Feng, JK; Ren, AM; Han, CY; Gao, Z |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2002-09-01 |
| 卷号 | 60期号:9页码:1586-1590 |
| 关键词 | Ti3p6++++ Clusters Geometric Structure Dff |
| ISSN号 | 0567-7351 |
| 英文摘要 | The possible geometrical structures and relative stability of Ti3P6+ cluster are explored by means of density functional theory (DFT) calculations. The effects of polarization functions and electron correlation are included in these calculations. The results show that the most stable structure of Ti3P6+ belongs to the C-s point group. The properties of Ti3P6+ is in good agreement with the experimental results. |
| 语种 | 英语 |
| WOS记录号 | WOS:000178292400009 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/78409]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Pan, GB |
| 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 |
| 推荐引用方式 GB/T 7714 | Pan, GB,Feng, JK,Ren, AM,et al. Theoretical studies on the structures of Ti3P6+ cluster[J]. ACTA CHIMICA SINICA,2002,60(9):1586-1590. |
| APA | Pan, GB,Feng, JK,Ren, AM,Han, CY,&Gao, Z.(2002).Theoretical studies on the structures of Ti3P6+ cluster.ACTA CHIMICA SINICA,60(9),1586-1590. |
| MLA | Pan, GB,et al."Theoretical studies on the structures of Ti3P6+ cluster".ACTA CHIMICA SINICA 60.9(2002):1586-1590. |
入库方式： OAI收割
来源：化学研究所
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