Ab initio studies of lead-sulfur binary PbnSn-1+ (n=2 similar to 4) clusters
文献类型：期刊论文
| 作者 | Cui, M; Feng, JK; Ge, MF; Wang, SF; Sun, JZ; Liu, JB; Gao, Z; Kong, FA |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 1999 |
| 卷号 | 57期号:10页码:1062-1067 |
| 关键词 | Lead - Sulfur Binary Clusters Geometrical Structure Electronic Structure |
| ISSN号 | 0567-7351 |
| 英文摘要 | The possible structures of PbnSn-1+(n = 2 similar to 4) clusters have been studied by using density functional theory (B3LYP) method. It shows that the most stable isomers are Pb2S+ (C-2v), Pb3S2 (+) ( C2(v)) and Pb4S3+ (C-3v),The most stable forms of the clusters. Meanwhile, the energies of the lowest unoccupied molecular orbitals (LUMO) are very low, this makes it easy for them to get an electron. II demonstrates that the corresponding neutral clusters exist stably. |
| 语种 | 英语 |
| WOS记录号 | WOS:000083515400003 |
| 出版者 | ACTA CHIMICA SINICA |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75127]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Ge, MF |
| 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 | Cui, M,Feng, JK,Ge, MF,et al. Ab initio studies of lead-sulfur binary PbnSn-1+ (n=2 similar to 4) clusters[J]. ACTA CHIMICA SINICA,1999,57(10):1062-1067. |
| APA | Cui, M.,Feng, JK.,Ge, MF.,Wang, SF.,Sun, JZ.,...&Kong, FA.(1999).Ab initio studies of lead-sulfur binary PbnSn-1+ (n=2 similar to 4) clusters.ACTA CHIMICA SINICA,57(10),1062-1067. |
| MLA | Cui, M,et al."Ab initio studies of lead-sulfur binary PbnSn-1+ (n=2 similar to 4) clusters".ACTA CHIMICA SINICA 57.10(1999):1062-1067. |
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。