| Theoretical XANES spectra for C_(76)isomers |
| Zhao T(赵挺); Gao B(高斌); Liu L(刘蕾); Ye Q(叶青); Chu WS(储旺盛) ; Wu ZY(吴自玉)
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| 2009
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发表期刊 | 中国物理C
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期号 | 11页码:954-959 |
通讯作者 | 吴自玉
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摘要 | Two isolated pentagon rule satisfying isomers of C76 are optimized.And 1(D2) isomer is reconfirmed to be the relative more stable one.The X-ray absorption near-edge structure(XANES) spectra are theoretically characterized by the hybrid density functional theory(DFT) method in combination with the fu... |
关键词 | fullerene C76
isomer
calculated XANES spectra
local structure dependence
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项目资助者 | Supported by Knowledge Innovation Program of Chinese Academy of Sciences
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文献类型 | 期刊论文
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条目标识符 | http://ir.ihep.ac.cn/handle/311005/222771
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专题 | 多学科研究中心
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推荐引用方式 GB/T 7714 |
Zhao T,Gao B,Liu L,et al. Theoretical XANES spectra for C_(76)isomers[J]. 中国物理C,2009(11):954-959.
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APA |
赵挺,高斌,刘蕾,叶青,储旺盛,&吴自玉.(2009).Theoretical XANES spectra for C_(76)isomers.中国物理C(11),954-959.
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MLA |
赵挺,et al."Theoretical XANES spectra for C_(76)isomers".中国物理C .11(2009):954-959.
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