Theoretical studies on TiP6+ and Ti2P6+ binary clusters
文献类型：期刊论文
| 作者 | Pan, GB; Feng, JK; Ren, AM; Han, CY; Gao, Z |
| 刊名 | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| 出版日期 | 2002-05-01 |
| 卷号 | 23期号:5页码:893-896 |
| 关键词 | Titanium/phosphorus Binary Clusters Geometric Structures Dft |
| ISSN号 | 0251-0790 |
| 英文摘要 | The possible geometrical structures and relative stability of titanium/phosphorus binary clusters of TiP6+ and Ti2P6+ are explored by means of density functional theory(DFT) quantum chemical calculations The effects of polarization functions and electron correlation are included in these calculations. The results show that the most stable structures of TiP6+ and Ti2P6+ belong to the C-3v and D-6h point group respectively. Our forecast to the properties of the clusters is in good agreement with the experimental results. |
| 语种 | 英语 |
| WOS记录号 | WOS:000175831000035 |
| 出版者 | HIGHER EDUCATION PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/78515]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Feng, JK |
| 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 TiP6+ and Ti2P6+ binary clusters[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2002,23(5):893-896. |
| APA | Pan, GB,Feng, JK,Ren, AM,Han, CY,&Gao, Z.(2002).Theoretical studies on TiP6+ and Ti2P6+ binary clusters.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,23(5),893-896. |
| MLA | Pan, GB,et al."Theoretical studies on TiP6+ and Ti2P6+ binary clusters".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 23.5(2002):893-896. |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。