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| DOI | 10.1126/science.271.5251.942 |
| Ab initio calculations of fullerenes | |
| Scuseria G.E. | |
| 发表日期 | 1996 |
| ISSN | 0036-8075 |
| 起始页码 | 942 |
| 结束页码 | 945 |
| 卷号 | 271期号:5251 |
| 英文摘要 | Recent advances in ab initio electronic structure methods have brought about a substantial improvement in the capabilities of quantum chemists to predict and study the properties of clusters. The carbon cages known as fullerenes have been the focus of much attention because of their remarkable properties. This article discusses the application of state-of-the-art methods to representative fullerene problems and summarizes some of the recent advances and current challenges in the use of ab initio algorithms. |
| 语种 | 英语 |
| 来源期刊 | Science
 |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://gcip.llas.ac.cn/handle/2XKMVOVA/245404 |
| 作者单位 | Ctr. for Nanoscale Sci. and Technol., Rice Quantum Institute, Rice University, Houston, TX 77005-1892, United States |
| 推荐引用方式 GB/T 7714 | Scuseria G.E.. Ab initio calculations of fullerenes[J],1996,271(5251). |
| APA | Scuseria G.E..(1996).Ab initio calculations of fullerenes.Science,271(5251). |
| MLA | Scuseria G.E.."Ab initio calculations of fullerenes".Science 271.5251(1996). |
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