Classification of VxOyq Clusters by Delta=2y+q-5x
文献类型：期刊论文
| 作者 | Ma, Yan-ping1,2; Zhao, Yan-xia1; Li, Zi-yu1; Ding, Xun-lei1; He, Sheng-gui1 |
| 刊名 | CHINESE JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2011-10-01 |
| 卷号 | 24期号:5页码:586-596 |
| 关键词 | Vanadium Oxide Cluster Ground State Structure Density Functional Calculation Oxidation Index Bonding Character |
| ISSN号 | 1674-0068 |
| DOI | 10.1088/1674-0068/24/05/586-596 |
| 英文摘要 | Vanadium oxide clusters VxOyq (x <= 8, q=0, +/-1) are classified according to the oxidation index (Delta=2y+q-5x) of each cluster. Density functional calculations indicate that clusters with the same oxidation index tend to have similar bonding characters, electronic structures, and reactivities. This general rule leads to the findings of new possible ground state structures for V2O6 and V3O6+ clusters. This successful application of the classification method on vanadium oxide clusters proves that this method is very effective in studying the bonding properties of early transition metal oxide clusters. |
| 语种 | 英语 |
| WOS记录号 | WOS:000297139200013 |
| 出版者 | CHINESE PHYSICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/73599]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Ding, Xun-lei |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing 100190, Peoples R China 2.Chinese Acad Sci, State Key Lab Polymer Phys & Chem, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ma, Yan-ping,Zhao, Yan-xia,Li, Zi-yu,et al. Classification of VxOyq Clusters by Delta=2y+q-5x[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2011,24(5):586-596. |
| APA | Ma, Yan-ping,Zhao, Yan-xia,Li, Zi-yu,Ding, Xun-lei,&He, Sheng-gui.(2011).Classification of VxOyq Clusters by Delta=2y+q-5x.CHINESE JOURNAL OF CHEMICAL PHYSICS,24(5),586-596. |
| MLA | Ma, Yan-ping,et al."Classification of VxOyq Clusters by Delta=2y+q-5x".CHINESE JOURNAL OF CHEMICAL PHYSICS 24.5(2011):586-596. |
入库方式： OAI收割
来源：化学研究所
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