Spectral identification of fullerene C-82 isomers
文献类型：期刊论文
| 作者 | Gao, Bin; Liu, Lei; Wang, ChunRu; Wu, Ziyu; Luo, Yi |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2007-10-28 |
| 卷号 | 127期号:16 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.2800028 |
| 英文摘要 | Ultraviolet photoelectron spectra (UPS) of C-82 isomers have been calculated using hybrid density functional theory in combination with the Gelius model [Proceedings of the International Conference on Electron spectroscopy, edited by D. A. Shirley (North-Holland, Amsterdam, 1972), p. 311; J. Electron Spectrosc. Relat. Phenom. 5, 985 (1974)]. The calculated UPS spectra are found to be isomer dependent and in good agreement with the experimental counterparts. Near-edge x-ray absorption fine structure (NEXAFS), x-ray photoelectron spectroscopy (XPS), x-ray emission spectroscopy, and the resonant inelastic x-ray scattering (RIXS) spectra of three important isomers [3(C-2), 6(C-s), and 9(C-2v)] have also been simulated. Strong isomer dependence has also been found for NEXAFS, XPS, and RIXS spectra. |
| 语种 | 英语 |
| WOS记录号 | WOS:000250589400035 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/60699]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Gao, Bin |
| 作者单位 | 1.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China 2.Royal Inst Technol, Sch Biotechnol, Dept Theoret Chem, SE-10691 Stockholm, Sweden 3.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Gao, Bin,Liu, Lei,Wang, ChunRu,et al. Spectral identification of fullerene C-82 isomers[J]. JOURNAL OF CHEMICAL PHYSICS,2007,127(16). |
| APA | Gao, Bin,Liu, Lei,Wang, ChunRu,Wu, Ziyu,&Luo, Yi.(2007).Spectral identification of fullerene C-82 isomers.JOURNAL OF CHEMICAL PHYSICS,127(16). |
| MLA | Gao, Bin,et al."Spectral identification of fullerene C-82 isomers".JOURNAL OF CHEMICAL PHYSICS 127.16(2007). |
入库方式： OAI收割
来源：化学研究所
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